# 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 3.165199816226959*${_u_distance}
variable latticeconst_converted equal 3.165199816226959*1
lattice       bcc  ${latticeconst_converted}
lattice       bcc  3.16519981622696
Lattice spacing in x,y,z = 3.1651998 3.1651998 3.1651998
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 (31.651998 31.651998 31.651998)
  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 (31.651998 31.651998 31.651998)
  create_atoms CPU = 0.002 seconds

variable mass_converted equal 183.84*${_u_mass}
variable mass_converted equal 183.84*1

kim_interactions W

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

kim interactions W
#=== BEGIN kim interactions ==================================
pair_style kim EAM_Dynamo_ChenFangLiu_2019_WTa__MO_645806019892_000
pair_coeff * * W
#=== END kim interactions ====================================


mass          1 ${mass_converted}
mass          1 183.84

# initial volume
variable      v equal vol        # assign formula
variable      V0 equal ${v}    # evaluate initial value
variable      V0 equal 31710.5223164227    
variable      V0_metal equal ${V0}/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 31710.5223164227/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 31710.5223164227/(1*${_u_distance}*${_u_distance})
variable      V0_metal equal 31710.5223164227/(1*1*${_u_distance})
variable      V0_metal equal 31710.5223164227/(1*1*1)
variable      V0_metal_times1000 equal ${V0_metal}*1000
variable      V0_metal_times1000 equal 31710.5223164227*1000

print "Initial system volume: ${V0_metal} Angstroms^3"
Initial system volume: 31710.5223164227 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_645806019892_000#item-citation

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
       0   -17734.587   -17734.587   -17799.999   -17799.999       253.15       253.15    31710.522    31710.522    2203.3936    2203.3936 
    1000   -17670.247   -17670.247    -17733.54    -17733.54    244.95247    244.95247    31829.096    31829.096    3929.1541    3929.1541 
Loop time of 22.1787 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.896 ns/day, 6.161 hours/ns, 45.088 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 21.782     | 21.782     | 21.782     |   0.0 | 98.21
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.067783   | 0.067783   | 0.067783   |   0.0 |  0.31
Output  | 0.0004005  | 0.0004005  | 0.0004005  |   0.0 |  0.00
Modify  | 0.28854    | 0.28854    | 0.28854    |   0.0 |  1.30
Other   |            | 0.03962    |            |       |  0.18

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224000.0 ave      224000 max      224000 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224000
Ave neighs/atom = 112.00000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    1000   -17670.247   -17670.247    -17733.54    -17733.54    244.95247    244.95247    31829.096    31829.096    3929.1541    3929.1541 
    2000   -17667.661   -17667.661   -17734.948   -17734.948    260.41024    260.41024    31884.993    31884.993   -2145.8175   -2145.8175 
Loop time of 23.0268 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.752 ns/day, 6.396 hours/ns, 43.428 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.628     | 22.628     | 22.628     |   0.0 | 98.27
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.067692   | 0.067692   | 0.067692   |   0.0 |  0.29
Output  | 0.0002007  | 0.0002007  | 0.0002007  |   0.0 |  0.00
Modify  | 0.29023    | 0.29023    | 0.29023    |   0.0 |  1.26
Other   |            | 0.04035    |            |       |  0.18

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224114.0 ave      224114 max      224114 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224114
Ave neighs/atom = 112.05700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    2000   -17667.661   -17667.661   -17734.948   -17734.948    260.41024    260.41024    31884.993    31884.993   -2145.8175   -2145.8175 
    3000   -17671.892   -17671.892   -17735.975   -17735.975    248.00854    248.00854    31853.493    31853.493    648.60738    648.60738 
Loop time of 23.0249 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.752 ns/day, 6.396 hours/ns, 43.431 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.628     | 22.628     | 22.628     |   0.0 | 98.28
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.068005   | 0.068005   | 0.068005   |   0.0 |  0.30
Output  | 0.00020272 | 0.00020272 | 0.00020272 |   0.0 |  0.00
Modify  | 0.28883    | 0.28883    | 0.28883    |   0.0 |  1.25
Other   |            | 0.03979    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224078.0 ave      224078 max      224078 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224078
Ave neighs/atom = 112.03900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    3000   -17671.892   -17671.892   -17735.975   -17735.975    248.00854    248.00854    31853.493    31853.493    648.60738    648.60738 
    4000   -17667.742   -17667.742   -17733.804   -17733.804    255.66741    255.66741    31858.784    31858.784    788.10808    788.10808 
Loop time of 23.006 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.756 ns/day, 6.391 hours/ns, 43.467 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    | 22.61      | 22.61      | 22.61      |   0.0 | 98.28
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.067743   | 0.067743   | 0.067743   |   0.0 |  0.29
Output  | 0.00012796 | 0.00012796 | 0.00012796 |   0.0 |  0.00
Modify  | 0.28792    | 0.28792    | 0.28792    |   0.0 |  1.25
Other   |            | 0.03976    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224076.0 ave      224076 max      224076 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224076
Ave neighs/atom = 112.03800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    4000   -17667.742   -17667.742   -17733.804   -17733.804    255.66741    255.66741    31858.784    31858.784    788.10808    788.10808 
    5000   -17671.349   -17671.349   -17736.163   -17736.163    250.83729    250.83729    31833.518    31833.518    2129.8398    2129.8398 
Loop time of 23.0369 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.751 ns/day, 6.399 hours/ns, 43.409 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.639     | 22.639     | 22.639     |   0.0 | 98.27
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.068395   | 0.068395   | 0.068395   |   0.0 |  0.30
Output  | 0.00015259 | 0.00015259 | 0.00015259 |   0.0 |  0.00
Modify  | 0.28972    | 0.28972    | 0.28972    |   0.0 |  1.26
Other   |            | 0.03979    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224098.0 ave      224098 max      224098 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224098
Ave neighs/atom = 112.04900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 251.197309652846, Press = -112.221393871213
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    5000   -17671.349   -17671.349   -17736.163   -17736.163    250.83729    250.83729    31833.518    31833.518    2129.8398    2129.8398 
    6000   -17668.611   -17668.611   -17736.027   -17736.027    260.90511    260.90511    31866.297    31866.297     -546.472     -546.472 
Loop time of 23.0734 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.745 ns/day, 6.409 hours/ns, 43.340 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.67      | 22.67      | 22.67      |   0.0 | 98.25
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.067524   | 0.067524   | 0.067524   |   0.0 |  0.29
Output  | 0.0001003  | 0.0001003  | 0.0001003  |   0.0 |  0.00
Modify  | 0.2968     | 0.2968     | 0.2968     |   0.0 |  1.29
Other   |            | 0.03926    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224062.0 ave      224062 max      224062 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224062
Ave neighs/atom = 112.03100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 251.804151087624, Press = -59.2766199381674
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    6000   -17668.611   -17668.611   -17736.027   -17736.027    260.90511    260.90511    31866.297    31866.297     -546.472     -546.472 
    7000   -17669.318   -17669.318   -17735.077   -17735.077    254.49397    254.49397    31878.249    31878.249   -1472.2413   -1472.2413 
Loop time of 23.0614 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.747 ns/day, 6.406 hours/ns, 43.362 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    | 22.658     | 22.658     | 22.658     |   0.0 | 98.25
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.067296   | 0.067296   | 0.067296   |   0.0 |  0.29
Output  | 0.00010028 | 0.00010028 | 0.00010028 |   0.0 |  0.00
Modify  | 0.29717    | 0.29717    | 0.29717    |   0.0 |  1.29
Other   |            | 0.0393     |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224074.0 ave      224074 max      224074 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224074
Ave neighs/atom = 112.03700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.353633788008, Press = -24.6548354417277
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    7000   -17669.318   -17669.318   -17735.077   -17735.077    254.49397    254.49397    31878.249    31878.249   -1472.2413   -1472.2413 
    8000   -17669.857   -17669.857   -17732.992   -17732.992    244.34131    244.34131    31877.293    31877.293   -872.24663   -872.24663 
Loop time of 23.0613 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.747 ns/day, 6.406 hours/ns, 43.363 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.657     | 22.657     | 22.657     |   0.0 | 98.25
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.068067   | 0.068067   | 0.068067   |   0.0 |  0.30
Output  | 0.00014798 | 0.00014798 | 0.00014798 |   0.0 |  0.00
Modify  | 0.2969     | 0.2969     | 0.2969     |   0.0 |  1.29
Other   |            | 0.03932    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224120.0 ave      224120 max      224120 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224120
Ave neighs/atom = 112.06000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.044281918197, Press = -16.3645469680606
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    8000   -17669.857   -17669.857   -17732.992   -17732.992    244.34131    244.34131    31877.293    31877.293   -872.24663   -872.24663 
    9000   -17672.055   -17672.055   -17736.568   -17736.568     249.6695     249.6695    31840.916    31840.916    1532.7385    1532.7385 
Loop time of 23.0074 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.755 ns/day, 6.391 hours/ns, 43.464 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.604     | 22.604     | 22.604     |   0.0 | 98.25
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.06771    | 0.06771    | 0.06771    |   0.0 |  0.29
Output  | 9.8343e-05 | 9.8343e-05 | 9.8343e-05 |   0.0 |  0.00
Modify  | 0.29648    | 0.29648    | 0.29648    |   0.0 |  1.29
Other   |            | 0.03896    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224102.0 ave      224102 max      224102 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224102
Ave neighs/atom = 112.05100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.896621030341, Press = -5.50784184865841
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    9000   -17672.055   -17672.055   -17736.568   -17736.568     249.6695     249.6695    31840.916    31840.916    1532.7385    1532.7385 
   10000   -17668.768   -17668.768   -17735.543   -17735.543    258.42293    258.42293    31895.638    31895.638   -3519.7971   -3519.7971 
Loop time of 23.0332 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.751 ns/day, 6.398 hours/ns, 43.416 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    | 22.629     | 22.629     | 22.629     |   0.0 | 98.24
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.067776   | 0.067776   | 0.067776   |   0.0 |  0.29
Output  | 0.00011303 | 0.00011303 | 0.00011303 |   0.0 |  0.00
Modify  | 0.29727    | 0.29727    | 0.29727    |   0.0 |  1.29
Other   |            | 0.03911    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224088.0 ave      224088 max      224088 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224088
Ave neighs/atom = 112.04400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.400254041267, Press = -6.90726166925619
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   10000   -17668.768   -17668.768   -17735.543   -17735.543    258.42293    258.42293    31895.638    31895.638   -3519.7971   -3519.7971 
   11000   -17670.597   -17670.597   -17736.096   -17736.096    253.48955    253.48955    31860.704    31860.704    136.25131    136.25131 
Loop time of 23.0205 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.753 ns/day, 6.395 hours/ns, 43.440 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.617     | 22.617     | 22.617     |   0.0 | 98.25
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.067888   | 0.067888   | 0.067888   |   0.0 |  0.29
Output  | 0.00010966 | 0.00010966 | 0.00010966 |   0.0 |  0.00
Modify  | 0.29644    | 0.29644    | 0.29644    |   0.0 |  1.29
Other   |            | 0.0391     |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224070.0 ave      224070 max      224070 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224070
Ave neighs/atom = 112.03500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.703196186585, Press = -12.0509572421723
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   11000   -17670.597   -17670.597   -17736.096   -17736.096    253.48955    253.48955    31860.704    31860.704    136.25131    136.25131 
   12000   -17667.256   -17667.256   -17734.267   -17734.267    259.34082    259.34082    31869.338    31869.338   -52.259751   -52.259751 
Loop time of 23.0753 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.744 ns/day, 6.410 hours/ns, 43.336 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.672     | 22.672     | 22.672     |   0.0 | 98.25
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.067859   | 0.067859   | 0.067859   |   0.0 |  0.29
Output  | 9.6012e-05 | 9.6012e-05 | 9.6012e-05 |   0.0 |  0.00
Modify  | 0.29669    | 0.29669    | 0.29669    |   0.0 |  1.29
Other   |            | 0.039      |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224080.0 ave      224080 max      224080 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224080
Ave neighs/atom = 112.04000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.843089246991, Press = -8.9504995504373
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   12000   -17667.256   -17667.256   -17734.267   -17734.267    259.34082    259.34082    31869.338    31869.338   -52.259751   -52.259751 
   13000   -17670.627   -17670.627   -17733.974   -17733.974    245.16178    245.16178    31866.945    31866.945   -355.04228   -355.04228 
Loop time of 23.0798 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.744 ns/day, 6.411 hours/ns, 43.328 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.675     | 22.675     | 22.675     |   0.0 | 98.25
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.068112   | 0.068112   | 0.068112   |   0.0 |  0.30
Output  | 0.00015455 | 0.00015455 | 0.00015455 |   0.0 |  0.00
Modify  | 0.29678    | 0.29678    | 0.29678    |   0.0 |  1.29
Other   |            | 0.03922    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224104.0 ave      224104 max      224104 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224104
Ave neighs/atom = 112.05200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.04419267098, Press = -5.19930248147402
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   13000   -17670.627   -17670.627   -17733.974   -17733.974    245.16178    245.16178    31866.945    31866.945   -355.04228   -355.04228 
   14000   -17669.161   -17669.161   -17732.591   -17732.591    245.47773    245.47773    31869.019    31869.019    45.790823    45.790823 
Loop time of 23.052 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.748 ns/day, 6.403 hours/ns, 43.380 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.649     | 22.649     | 22.649     |   0.0 | 98.25
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.067406   | 0.067406   | 0.067406   |   0.0 |  0.29
Output  | 9.8896e-05 | 9.8896e-05 | 9.8896e-05 |   0.0 |  0.00
Modify  | 0.29686    | 0.29686    | 0.29686    |   0.0 |  1.29
Other   |            | 0.03903    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224078.0 ave      224078 max      224078 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224078
Ave neighs/atom = 112.03900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.043903788788, Press = -0.369616224175543
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   14000   -17669.161   -17669.161   -17732.591   -17732.591    245.47773    245.47773    31869.019    31869.019    45.790823    45.790823 
   15000   -17670.108   -17670.108   -17733.972   -17733.972    247.15963    247.15963    31873.291    31873.291   -551.62873   -551.62873 
Loop time of 23.0103 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.755 ns/day, 6.392 hours/ns, 43.459 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.607     | 22.607     | 22.607     |   0.0 | 98.25
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.067823   | 0.067823   | 0.067823   |   0.0 |  0.29
Output  | 0.00013355 | 0.00013355 | 0.00013355 |   0.0 |  0.00
Modify  | 0.29642    | 0.29642    | 0.29642    |   0.0 |  1.29
Other   |            | 0.03913    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224084.0 ave      224084 max      224084 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224084
Ave neighs/atom = 112.04200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.015513278432, Press = -9.43433231539916
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   15000   -17670.108   -17670.108   -17733.972   -17733.972    247.15963    247.15963    31873.291    31873.291   -551.62873   -551.62873 
   16000    -17670.79    -17670.79   -17734.084   -17734.084    244.95716    244.95716    31877.439    31877.439   -876.69668   -876.69668 
Loop time of 22.5606 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.830 ns/day, 6.267 hours/ns, 44.325 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.164     | 22.164     | 22.164     |   0.0 | 98.24
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.066904   | 0.066904   | 0.066904   |   0.0 |  0.30
Output  | 0.00011105 | 0.00011105 | 0.00011105 |   0.0 |  0.00
Modify  | 0.29161    | 0.29161    | 0.29161    |   0.0 |  1.29
Other   |            | 0.03823    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224086.0 ave      224086 max      224086 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224086
Ave neighs/atom = 112.04300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.985762318606, Press = -4.82514461940186
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   16000    -17670.79    -17670.79   -17734.084   -17734.084    244.95716    244.95716    31877.439    31877.439   -876.69668   -876.69668 
   17000   -17667.805   -17667.805   -17734.063   -17734.063    256.42521    256.42521    31861.342    31861.342     538.6036     538.6036 
Loop time of 22.4858 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.842 ns/day, 6.246 hours/ns, 44.473 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.09      | 22.09      | 22.09      |   0.0 | 98.24
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.066967   | 0.066967   | 0.066967   |   0.0 |  0.30
Output  | 9.403e-05  | 9.403e-05  | 9.403e-05  |   0.0 |  0.00
Modify  | 0.29089    | 0.29089    | 0.29089    |   0.0 |  1.29
Other   |            | 0.03811    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224080.0 ave      224080 max      224080 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224080
Ave neighs/atom = 112.04000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.831326147331, Press = -8.02497632875108
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   17000   -17667.805   -17667.805   -17734.063   -17734.063    256.42521    256.42521    31861.342    31861.342     538.6036     538.6036 
   18000   -17671.602   -17671.602   -17736.516   -17736.516    251.22305    251.22305    31844.988    31844.988    1476.1543    1476.1543 
Loop time of 22.4449 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.849 ns/day, 6.235 hours/ns, 44.554 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.049     | 22.049     | 22.049     |   0.0 | 98.23
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.066761   | 0.066761   | 0.066761   |   0.0 |  0.30
Output  | 0.00016635 | 0.00016635 | 0.00016635 |   0.0 |  0.00
Modify  | 0.29119    | 0.29119    | 0.29119    |   0.0 |  1.30
Other   |            | 0.03821    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224078.0 ave      224078 max      224078 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224078
Ave neighs/atom = 112.03900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.803814664236, Press = -1.67493986774302
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   18000   -17671.602   -17671.602   -17736.516   -17736.516    251.22305    251.22305    31844.988    31844.988    1476.1543    1476.1543 
   19000   -17668.644   -17668.644   -17733.466   -17733.466     250.8662     250.8662    31852.101    31852.101    1797.1457    1797.1457 
Loop time of 22.4571 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.847 ns/day, 6.238 hours/ns, 44.529 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.061     | 22.061     | 22.061     |   0.0 | 98.23
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.066957   | 0.066957   | 0.066957   |   0.0 |  0.30
Output  | 9.1183e-05 | 9.1183e-05 | 9.1183e-05 |   0.0 |  0.00
Modify  | 0.29128    | 0.29128    | 0.29128    |   0.0 |  1.30
Other   |            | 0.03807    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224080.0 ave      224080 max      224080 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224080
Ave neighs/atom = 112.04000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.72618328397, Press = -4.35107651734135
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   19000   -17668.644   -17668.644   -17733.466   -17733.466     250.8662     250.8662    31852.101    31852.101    1797.1457    1797.1457 
   20000   -17669.647   -17669.647   -17735.385   -17735.385     254.4109     254.4109    31860.278    31860.278     456.7287     456.7287 
Loop time of 22.4831 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.843 ns/day, 6.245 hours/ns, 44.478 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.086     | 22.086     | 22.086     |   0.0 | 98.23
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.06736    | 0.06736    | 0.06736    |   0.0 |  0.30
Output  | 9.5382e-05 | 9.5382e-05 | 9.5382e-05 |   0.0 |  0.00
Modify  | 0.29118    | 0.29118    | 0.29118    |   0.0 |  1.30
Other   |            | 0.03822    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224102.0 ave      224102 max      224102 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224102
Ave neighs/atom = 112.05100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.630622652249, Press = 0.241036267870605
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   20000   -17669.647   -17669.647   -17735.385   -17735.385     254.4109     254.4109    31860.278    31860.278     456.7287     456.7287 
   21000   -17666.071   -17666.071   -17733.936   -17733.936    262.64358    262.64358    31888.324    31888.324   -1662.0736   -1662.0736 
Loop time of 22.4305 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.852 ns/day, 6.231 hours/ns, 44.582 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.034     | 22.034     | 22.034     |   0.0 | 98.23
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.067269   | 0.067269   | 0.067269   |   0.0 |  0.30
Output  | 9.6958e-05 | 9.6958e-05 | 9.6958e-05 |   0.0 |  0.00
Modify  | 0.29084    | 0.29084    | 0.29084    |   0.0 |  1.30
Other   |            | 0.03806    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224084.0 ave      224084 max      224084 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224084
Ave neighs/atom = 112.04200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.680858977678, Press = -5.74032948966772
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   21000   -17666.071   -17666.071   -17733.936   -17733.936    262.64358    262.64358    31888.324    31888.324   -1662.0736   -1662.0736 
   22000   -17669.853   -17669.853   -17735.584   -17735.584     254.3854     254.3854     31864.03     31864.03   -216.21822   -216.21822 
Loop time of 22.4529 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.848 ns/day, 6.237 hours/ns, 44.538 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.057     | 22.057     | 22.057     |   0.0 | 98.23
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.067031   | 0.067031   | 0.067031   |   0.0 |  0.30
Output  | 9.7308e-05 | 9.7308e-05 | 9.7308e-05 |   0.0 |  0.00
Modify  | 0.29096    | 0.29096    | 0.29096    |   0.0 |  1.30
Other   |            | 0.03821    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224086.0 ave      224086 max      224086 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224086
Ave neighs/atom = 112.04300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.754154144772, Press = -2.42202200097807
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   22000   -17669.853   -17669.853   -17735.584   -17735.584     254.3854     254.3854     31864.03     31864.03   -216.21822   -216.21822 
   23000   -17669.875   -17669.875   -17736.064   -17736.064    256.15851    256.15851    31865.384    31865.384   -805.69932   -805.69932 
Loop time of 22.4879 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.842 ns/day, 6.247 hours/ns, 44.468 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.091     | 22.091     | 22.091     |   0.0 | 98.23
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.067365   | 0.067365   | 0.067365   |   0.0 |  0.30
Output  | 0.00014251 | 0.00014251 | 0.00014251 |   0.0 |  0.00
Modify  | 0.29134    | 0.29134    | 0.29134    |   0.0 |  1.30
Other   |            | 0.03811    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224104.0 ave      224104 max      224104 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224104
Ave neighs/atom = 112.05200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.768840751729, Press = -2.41156371103292
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   23000   -17669.875   -17669.875   -17736.064   -17736.064    256.15851    256.15851    31865.384    31865.384   -805.69932   -805.69932 
   24000   -17669.062   -17669.062   -17735.105   -17735.105    255.59281    255.59281    31874.761    31874.761   -1160.3183   -1160.3183 
Loop time of 22.4402 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.850 ns/day, 6.233 hours/ns, 44.563 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.043     | 22.043     | 22.043     |   0.0 | 98.23
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.067675   | 0.067675   | 0.067675   |   0.0 |  0.30
Output  | 9.6535e-05 | 9.6535e-05 | 9.6535e-05 |   0.0 |  0.00
Modify  | 0.29112    | 0.29112    | 0.29112    |   0.0 |  1.30
Other   |            | 0.03812    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224060.0 ave      224060 max      224060 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224060
Ave neighs/atom = 112.03000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.694888004732, Press = -3.93803438637803
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   24000   -17669.062   -17669.062   -17735.105   -17735.105    255.59281    255.59281    31874.761    31874.761   -1160.3183   -1160.3183 
   25000   -17669.966   -17669.966   -17735.081   -17735.081    252.00144    252.00144    31839.663    31839.663    1934.0695    1934.0695 
Loop time of 21.389 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.039 ns/day, 5.941 hours/ns, 46.753 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 21.011     | 21.011     | 21.011     |   0.0 | 98.23
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.064164   | 0.064164   | 0.064164   |   0.0 |  0.30
Output  | 6.81e-05   | 6.81e-05   | 6.81e-05   |   0.0 |  0.00
Modify  | 0.27732    | 0.27732    | 0.27732    |   0.0 |  1.30
Other   |            | 0.03642    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224100.0 ave      224100 max      224100 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224100
Ave neighs/atom = 112.05000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.714515842043, Press = -3.8582178229438
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   25000   -17669.966   -17669.966   -17735.081   -17735.081    252.00144    252.00144    31839.663    31839.663    1934.0695    1934.0695 
   26000   -17668.033   -17668.033   -17735.026   -17735.026    259.27263    259.27263    31831.052    31831.052    3135.0398    3135.0398 
Loop time of 10.8545 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.960 ns/day, 3.015 hours/ns, 92.128 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 10.662     | 10.662     | 10.662     |   0.0 | 98.23
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03228    | 0.03228    | 0.03228    |   0.0 |  0.30
Output  | 6.6445e-05 | 6.6445e-05 | 6.6445e-05 |   0.0 |  0.00
Modify  | 0.14096    | 0.14096    | 0.14096    |   0.0 |  1.30
Other   |            | 0.01888    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224116.0 ave      224116 max      224116 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224116
Ave neighs/atom = 112.05800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.757511533072, Press = -0.0009212538602324
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   26000   -17668.033   -17668.033   -17735.026   -17735.026    259.27263    259.27263    31831.052    31831.052    3135.0398    3135.0398 
   27000   -17670.373   -17670.373   -17736.393   -17736.393    255.50425    255.50425    31852.135    31852.135     955.8853     955.8853 
Loop time of 10.8493 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.964 ns/day, 3.014 hours/ns, 92.172 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 10.657     | 10.657     | 10.657     |   0.0 | 98.23
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032546   | 0.032546   | 0.032546   |   0.0 |  0.30
Output  | 6.7867e-05 | 6.7867e-05 | 6.7867e-05 |   0.0 |  0.00
Modify  | 0.14067    | 0.14067    | 0.14067    |   0.0 |  1.30
Other   |            | 0.01881    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224088.0 ave      224088 max      224088 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224088
Ave neighs/atom = 112.04400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.739972072524, Press = -4.32798857657703
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   27000   -17670.373   -17670.373   -17736.393   -17736.393    255.50425    255.50425    31852.135    31852.135     955.8853     955.8853 
   28000   -17669.362   -17669.362   -17734.564   -17734.564    252.33622    252.33622    31873.277    31873.277   -723.77352   -723.77352 
Loop time of 10.8443 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.967 ns/day, 3.012 hours/ns, 92.214 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 10.652     | 10.652     | 10.652     |   0.0 | 98.23
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032467   | 0.032467   | 0.032467   |   0.0 |  0.30
Output  | 6.5272e-05 | 6.5272e-05 | 6.5272e-05 |   0.0 |  0.00
Modify  | 0.14073    | 0.14073    | 0.14073    |   0.0 |  1.30
Other   |            | 0.01875    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224074.0 ave      224074 max      224074 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224074
Ave neighs/atom = 112.03700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.715412585837, Press = -0.605390705114455
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   28000   -17669.362   -17669.362   -17734.564   -17734.564    252.33622    252.33622    31873.277    31873.277   -723.77352   -723.77352 
   29000   -17670.718   -17670.718   -17735.081   -17735.081    249.09176    249.09176    31875.012    31875.012   -966.93183   -966.93183 
Loop time of 10.8213 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.984 ns/day, 3.006 hours/ns, 92.410 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 10.63      | 10.63      | 10.63      |   0.0 | 98.23
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03238    | 0.03238    | 0.03238    |   0.0 |  0.30
Output  | 6.7106e-05 | 6.7106e-05 | 6.7106e-05 |   0.0 |  0.00
Modify  | 0.14029    | 0.14029    | 0.14029    |   0.0 |  1.30
Other   |            | 0.01879    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224104.0 ave      224104 max      224104 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224104
Ave neighs/atom = 112.05200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.631712162534, Press = -3.09512410975858
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   29000   -17670.718   -17670.718   -17735.081   -17735.081    249.09176    249.09176    31875.012    31875.012   -966.93183   -966.93183 
   30000   -17671.212   -17671.212   -17736.528   -17736.528    252.78048    252.78048    31848.706    31848.706    1278.1773    1278.1773 
Loop time of 14.5342 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.945 ns/day, 4.037 hours/ns, 68.803 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.278     | 14.278     | 14.278     |   0.0 | 98.23
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.043256   | 0.043256   | 0.043256   |   0.0 |  0.30
Output  | 0.00011163 | 0.00011163 | 0.00011163 |   0.0 |  0.00
Modify  | 0.18836    | 0.18836    | 0.18836    |   0.0 |  1.30
Other   |            | 0.02491    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224076.0 ave      224076 max      224076 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224076
Ave neighs/atom = 112.03800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.664840112607, Press = -1.21221493422819
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   30000   -17671.212   -17671.212   -17736.528   -17736.528    252.78048    252.78048    31848.706    31848.706    1278.1773    1278.1773 
   31000   -17669.149   -17669.149   -17734.752   -17734.752    253.88961    253.88961    31881.051    31881.051   -1741.2906   -1741.2906 
Loop time of 22.4197 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.854 ns/day, 6.228 hours/ns, 44.604 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.024     | 22.024     | 22.024     |   0.0 | 98.23
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.067015   | 0.067015   | 0.067015   |   0.0 |  0.30
Output  | 0.00014734 | 0.00014734 | 0.00014734 |   0.0 |  0.00
Modify  | 0.29068    | 0.29068    | 0.29068    |   0.0 |  1.30
Other   |            | 0.0382     |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224104.0 ave      224104 max      224104 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224104
Ave neighs/atom = 112.05200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.585791361499, Press = -2.90600091694593
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   31000   -17669.149   -17669.149   -17734.752   -17734.752    253.88961    253.88961    31881.051    31881.051   -1741.2906   -1741.2906 
   32000   -17671.018   -17671.018   -17735.949   -17735.949    251.29069    251.29069    31868.218    31868.218   -616.95118   -616.95118 
Loop time of 22.4136 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.855 ns/day, 6.226 hours/ns, 44.616 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.018     | 22.018     | 22.018     |   0.0 | 98.23
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.066724   | 0.066724   | 0.066724   |   0.0 |  0.30
Output  | 9.3377e-05 | 9.3377e-05 | 9.3377e-05 |   0.0 |  0.00
Modify  | 0.29087    | 0.29087    | 0.29087    |   0.0 |  1.30
Other   |            | 0.03816    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224086.0 ave      224086 max      224086 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224086
Ave neighs/atom = 112.04300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.5770949361, Press = -0.978491169099961
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   32000   -17671.018   -17671.018   -17735.949   -17735.949    251.29069    251.29069    31868.218    31868.218   -616.95118   -616.95118 
   33000   -17669.008   -17669.008   -17734.102   -17734.102    251.92355    251.92355    31852.096    31852.096    1645.9655    1645.9655 
Loop time of 22.4234 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.853 ns/day, 6.229 hours/ns, 44.596 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.027     | 22.027     | 22.027     |   0.0 | 98.23
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.06724    | 0.06724    | 0.06724    |   0.0 |  0.30
Output  | 9.3446e-05 | 9.3446e-05 | 9.3446e-05 |   0.0 |  0.00
Modify  | 0.29078    | 0.29078    | 0.29078    |   0.0 |  1.30
Other   |            | 0.0379     |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224070.0 ave      224070 max      224070 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224070
Ave neighs/atom = 112.03500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.577678098916, Press = -0.934378848059583
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   33000   -17669.008   -17669.008   -17734.102   -17734.102    251.92355    251.92355    31852.096    31852.096    1645.9655    1645.9655 
   34000   -17669.854   -17669.854   -17734.332   -17734.332    249.53592    249.53592     31868.79     31868.79   -363.83816   -363.83816 
Loop time of 22.4174 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.854 ns/day, 6.227 hours/ns, 44.608 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.021     | 22.021     | 22.021     |   0.0 | 98.23
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.066971   | 0.066971   | 0.066971   |   0.0 |  0.30
Output  | 9.8885e-05 | 9.8885e-05 | 9.8885e-05 |   0.0 |  0.00
Modify  | 0.29066    | 0.29066    | 0.29066    |   0.0 |  1.30
Other   |            | 0.03819    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224102.0 ave      224102 max      224102 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224102
Ave neighs/atom = 112.05100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.591396135119, Press = -2.36000449644382
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   34000   -17669.854   -17669.854   -17734.332   -17734.332    249.53592    249.53592     31868.79     31868.79   -363.83816   -363.83816 
   35000   -17669.591   -17669.591   -17734.794   -17734.794    252.34382    252.34382    31886.874    31886.874     -2310.39     -2310.39 
Loop time of 22.4527 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.848 ns/day, 6.237 hours/ns, 44.538 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.056     | 22.056     | 22.056     |   0.0 | 98.24
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.067206   | 0.067206   | 0.067206   |   0.0 |  0.30
Output  | 9.8649e-05 | 9.8649e-05 | 9.8649e-05 |   0.0 |  0.00
Modify  | 0.29063    | 0.29063    | 0.29063    |   0.0 |  1.29
Other   |            | 0.03834    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224106.0 ave      224106 max      224106 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224106
Ave neighs/atom = 112.05300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.6251106427, Press = -2.04259833946439
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   35000   -17669.591   -17669.591   -17734.794   -17734.794    252.34382    252.34382    31886.874    31886.874     -2310.39     -2310.39 
   36000   -17672.694   -17672.694   -17736.735   -17736.735    247.84455    247.84455     31864.08     31864.08   -355.02424   -355.02424 
Loop time of 22.4204 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.854 ns/day, 6.228 hours/ns, 44.602 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.025     | 22.025     | 22.025     |   0.0 | 98.23
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.066844   | 0.066844   | 0.066844   |   0.0 |  0.30
Output  | 9.2601e-05 | 9.2601e-05 | 9.2601e-05 |   0.0 |  0.00
Modify  | 0.29075    | 0.29075    | 0.29075    |   0.0 |  1.30
Other   |            | 0.0382     |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224060.0 ave      224060 max      224060 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224060
Ave neighs/atom = 112.03000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.573180279322, Press = -0.0783753769924094
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   36000   -17672.694   -17672.694   -17736.735   -17736.735    247.84455    247.84455     31864.08     31864.08   -355.02424   -355.02424 
   37000   -17667.633   -17667.633   -17732.646   -17732.646     251.6046     251.6046    31898.122    31898.122   -2795.5109   -2795.5109 
Loop time of 22.4546 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.848 ns/day, 6.237 hours/ns, 44.534 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.058     | 22.058     | 22.058     |   0.0 | 98.23
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.067125   | 0.067125   | 0.067125   |   0.0 |  0.30
Output  | 0.0001441  | 0.0001441  | 0.0001441  |   0.0 |  0.00
Modify  | 0.29091    | 0.29091    | 0.29091    |   0.0 |  1.30
Other   |            | 0.0382     |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224074.0 ave      224074 max      224074 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224074
Ave neighs/atom = 112.03700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.577019170629, Press = -1.17868428297044
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   37000   -17667.633   -17667.633   -17732.646   -17732.646     251.6046     251.6046    31898.122    31898.122   -2795.5109   -2795.5109 
   38000   -17670.865   -17670.865    -17735.13    -17735.13    248.71413    248.71413    31858.012    31858.012    459.81782    459.81782 
Loop time of 22.5065 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.839 ns/day, 6.252 hours/ns, 44.432 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.109     | 22.109     | 22.109     |   0.0 | 98.23
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.067402   | 0.067402   | 0.067402   |   0.0 |  0.30
Output  | 9.4774e-05 | 9.4774e-05 | 9.4774e-05 |   0.0 |  0.00
Modify  | 0.29166    | 0.29166    | 0.29166    |   0.0 |  1.30
Other   |            | 0.03822    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224074.0 ave      224074 max      224074 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224074
Ave neighs/atom = 112.03700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.572929668287, Press = -1.16397117204771
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   38000   -17670.865   -17670.865    -17735.13    -17735.13    248.71413    248.71413    31858.012    31858.012    459.81782    459.81782 
   39000   -17669.745   -17669.745   -17735.237   -17735.237    253.46221    253.46221    31879.224    31879.224   -1322.6354   -1322.6354 
Loop time of 22.4991 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.840 ns/day, 6.250 hours/ns, 44.446 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.101     | 22.101     | 22.101     |   0.0 | 98.23
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.067583   | 0.067583   | 0.067583   |   0.0 |  0.30
Output  | 0.00014309 | 0.00014309 | 0.00014309 |   0.0 |  0.00
Modify  | 0.2918     | 0.2918     | 0.2918     |   0.0 |  1.30
Other   |            | 0.03809    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224094.0 ave      224094 max      224094 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224094
Ave neighs/atom = 112.04700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.52165401961, Press = -1.43184348601508
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   39000   -17669.745   -17669.745   -17735.237   -17735.237    253.46221    253.46221    31879.224    31879.224   -1322.6354   -1322.6354 
   40000   -17665.783   -17665.783   -17732.142   -17732.142    256.81614    256.81614    31844.181    31844.181    2525.8751    2525.8751 
Loop time of 22.477 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.844 ns/day, 6.244 hours/ns, 44.490 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.08      | 22.08      | 22.08      |   0.0 | 98.23
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.066961   | 0.066961   | 0.066961   |   0.0 |  0.30
Output  | 9.2753e-05 | 9.2753e-05 | 9.2753e-05 |   0.0 |  0.00
Modify  | 0.29176    | 0.29176    | 0.29176    |   0.0 |  1.30
Other   |            | 0.03818    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224078.0 ave      224078 max      224078 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224078
Ave neighs/atom = 112.03900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.582986862836, Press = -0.0164868264572033
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   40000   -17665.783   -17665.783   -17732.142   -17732.142    256.81614    256.81614    31844.181    31844.181    2525.8751    2525.8751 
   41000   -17670.603   -17670.603   -17736.154   -17736.154     253.6883     253.6883    31871.562    31871.562   -1348.5229   -1348.5229 
Loop time of 22.4856 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.842 ns/day, 6.246 hours/ns, 44.473 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.088     | 22.088     | 22.088     |   0.0 | 98.23
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.067574   | 0.067574   | 0.067574   |   0.0 |  0.30
Output  | 9.3499e-05 | 9.3499e-05 | 9.3499e-05 |   0.0 |  0.00
Modify  | 0.29142    | 0.29142    | 0.29142    |   0.0 |  1.30
Other   |            | 0.03815    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224120.0 ave      224120 max      224120 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224120
Ave neighs/atom = 112.06000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.632340847257, Press = -2.65508214736025
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   41000   -17670.603   -17670.603   -17736.154   -17736.154     253.6883     253.6883    31871.562    31871.562   -1348.5229   -1348.5229 
   42000   -17667.783   -17667.783   -17734.129   -17734.129    256.76559    256.76559    31859.216    31859.216     613.5425     613.5425 
Loop time of 22.4464 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.849 ns/day, 6.235 hours/ns, 44.551 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.049     | 22.049     | 22.049     |   0.0 | 98.23
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.067261   | 0.067261   | 0.067261   |   0.0 |  0.30
Output  | 9.4033e-05 | 9.4033e-05 | 9.4033e-05 |   0.0 |  0.00
Modify  | 0.29125    | 0.29125    | 0.29125    |   0.0 |  1.30
Other   |            | 0.03834    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224066.0 ave      224066 max      224066 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224066
Ave neighs/atom = 112.03300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.691369505242, Press = -1.40743916944691
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   42000   -17667.783   -17667.783   -17734.129   -17734.129    256.76559    256.76559    31859.216    31859.216     613.5425     613.5425 
   43000   -17671.259   -17671.259   -17735.858   -17735.858    250.00358    250.00358    31849.696    31849.696    954.47217    954.47217 
Loop time of 22.4558 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.848 ns/day, 6.238 hours/ns, 44.532 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.059     | 22.059     | 22.059     |   0.0 | 98.23
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.067054   | 0.067054   | 0.067054   |   0.0 |  0.30
Output  | 9.8433e-05 | 9.8433e-05 | 9.8433e-05 |   0.0 |  0.00
Modify  | 0.29145    | 0.29145    | 0.29145    |   0.0 |  1.30
Other   |            | 0.03816    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224070.0 ave      224070 max      224070 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224070
Ave neighs/atom = 112.03500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.689635848178, Press = -1.94733578842779
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   43000   -17671.259   -17671.259   -17735.858   -17735.858    250.00358    250.00358    31849.696    31849.696    954.47217    954.47217 
   44000    -17670.39    -17670.39   -17734.822   -17734.822    249.35696    249.35696    31870.876    31870.876   -581.59024   -581.59024 
Loop time of 22.4767 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.844 ns/day, 6.244 hours/ns, 44.490 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.08      | 22.08      | 22.08      |   0.0 | 98.24
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.06712    | 0.06712    | 0.06712    |   0.0 |  0.30
Output  | 9.0844e-05 | 9.0844e-05 | 9.0844e-05 |   0.0 |  0.00
Modify  | 0.29098    | 0.29098    | 0.29098    |   0.0 |  1.29
Other   |            | 0.03829    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224080.0 ave      224080 max      224080 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224080
Ave neighs/atom = 112.04000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.674147278406, Press = -0.743491449019758
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   44000    -17670.39    -17670.39   -17734.822   -17734.822    249.35696    249.35696    31870.876    31870.876   -581.59024   -581.59024 
   45000    -17667.53    -17667.53   -17732.959   -17732.959    253.21801    253.21801    31883.034    31883.034   -1330.6103   -1330.6103 
Loop time of 22.4377 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.851 ns/day, 6.233 hours/ns, 44.568 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.041     | 22.041     | 22.041     |   0.0 | 98.23
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.067455   | 0.067455   | 0.067455   |   0.0 |  0.30
Output  | 0.00014143 | 0.00014143 | 0.00014143 |   0.0 |  0.00
Modify  | 0.29073    | 0.29073    | 0.29073    |   0.0 |  1.30
Other   |            | 0.03828    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224064.0 ave      224064 max      224064 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224064
Ave neighs/atom = 112.03200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.699743437781, Press = -2.08102802545533
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   45000    -17667.53    -17667.53   -17732.959   -17732.959    253.21801    253.21801    31883.034    31883.034   -1330.6103   -1330.6103 
   46000   -17670.825   -17670.825   -17735.428   -17735.428    250.01845    250.01845    31836.103    31836.103    2469.4971    2469.4971 
Loop time of 11.6764 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.400 ns/day, 3.243 hours/ns, 85.643 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 11.47      | 11.47      | 11.47      |   0.0 | 98.23
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03485    | 0.03485    | 0.03485    |   0.0 |  0.30
Output  | 6.7082e-05 | 6.7082e-05 | 6.7082e-05 |   0.0 |  0.00
Modify  | 0.15121    | 0.15121    | 0.15121    |   0.0 |  1.29
Other   |            | 0.02002    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224098.0 ave      224098 max      224098 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224098
Ave neighs/atom = 112.04900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.754826446888, Press = -0.560088311938178
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   46000   -17670.825   -17670.825   -17735.428   -17735.428    250.01845    250.01845    31836.103    31836.103    2469.4971    2469.4971 
   47000   -17668.125   -17668.125   -17733.434   -17733.434    252.75412    252.75412    31854.372    31854.372    1107.4175    1107.4175 
Loop time of 10.8318 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.976 ns/day, 3.009 hours/ns, 92.320 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 10.64      | 10.64      | 10.64      |   0.0 | 98.23
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032426   | 0.032426   | 0.032426   |   0.0 |  0.30
Output  | 6.5254e-05 | 6.5254e-05 | 6.5254e-05 |   0.0 |  0.00
Modify  | 0.14048    | 0.14048    | 0.14048    |   0.0 |  1.30
Other   |            | 0.01866    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224084.0 ave      224084 max      224084 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224084
Ave neighs/atom = 112.04200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.768035626524, Press = -2.17788460425762
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   47000   -17668.125   -17668.125   -17733.434   -17733.434    252.75412    252.75412    31854.372    31854.372    1107.4175    1107.4175 
   48000    -17670.52    -17670.52   -17735.959   -17735.959    253.25604    253.25604    31859.833    31859.833   -23.814424   -23.814424 
Loop time of 10.834 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.975 ns/day, 3.009 hours/ns, 92.302 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 10.642     | 10.642     | 10.642     |   0.0 | 98.23
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032445   | 0.032445   | 0.032445   |   0.0 |  0.30
Output  | 6.7075e-05 | 6.7075e-05 | 6.7075e-05 |   0.0 |  0.00
Modify  | 0.14035    | 0.14035    | 0.14035    |   0.0 |  1.30
Other   |            | 0.01874    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224098.0 ave      224098 max      224098 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224098
Ave neighs/atom = 112.04900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.72231005158, Press = -1.02792427343107
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   48000    -17670.52    -17670.52   -17735.959   -17735.959    253.25604    253.25604    31859.833    31859.833   -23.814424   -23.814424 
   49000   -17670.276   -17670.276    -17734.89    -17734.89    250.06542    250.06542    31822.046    31822.046    3731.3877    3731.3877 
Loop time of 10.818 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.987 ns/day, 3.005 hours/ns, 92.439 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 10.626     | 10.626     | 10.626     |   0.0 | 98.23
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032427   | 0.032427   | 0.032427   |   0.0 |  0.30
Output  | 6.4581e-05 | 6.4581e-05 | 6.4581e-05 |   0.0 |  0.00
Modify  | 0.14028    | 0.14028    | 0.14028    |   0.0 |  1.30
Other   |            | 0.0187     |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224086.0 ave      224086 max      224086 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224086
Ave neighs/atom = 112.04300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.705503337084, Press = -1.58224197322043
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   49000   -17670.276   -17670.276    -17734.89    -17734.89    250.06542    250.06542    31822.046    31822.046    3731.3877    3731.3877 
   50000   -17668.955   -17668.955   -17736.195   -17736.195     260.2231     260.2231    31874.791    31874.791   -1633.9062   -1633.9062 
Loop time of 10.83 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.978 ns/day, 3.008 hours/ns, 92.336 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 10.638     | 10.638     | 10.638     |   0.0 | 98.23
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032532   | 0.032532   | 0.032532   |   0.0 |  0.30
Output  | 6.6642e-05 | 6.6642e-05 | 6.6642e-05 |   0.0 |  0.00
Modify  | 0.14041    | 0.14041    | 0.14041    |   0.0 |  1.30
Other   |            | 0.01874    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224100.0 ave      224100 max      224100 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224100
Ave neighs/atom = 112.05000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.654842372689, Press = -1.08410062867595
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   50000   -17668.955   -17668.955   -17736.195   -17736.195     260.2231     260.2231    31874.791    31874.791   -1633.9062   -1633.9062 
   51000   -17671.367   -17671.367   -17735.933   -17735.933    249.87443    249.87443    31834.224    31834.224    2675.5212    2675.5212 
Loop time of 22.4699 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.845 ns/day, 6.242 hours/ns, 44.504 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    | 22.073     | 22.073     | 22.073     |   0.0 | 98.24
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.067114   | 0.067114   | 0.067114   |   0.0 |  0.30
Output  | 0.00015227 | 0.00015227 | 0.00015227 |   0.0 |  0.00
Modify  | 0.291      | 0.291      | 0.291      |   0.0 |  1.30
Other   |            | 0.03832    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224086.0 ave      224086 max      224086 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224086
Ave neighs/atom = 112.04300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.667986006037, Press = -1.33844633011906
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   51000   -17671.367   -17671.367   -17735.933   -17735.933    249.87443    249.87443    31834.224    31834.224    2675.5212    2675.5212 
   52000   -17669.096   -17669.096   -17735.491   -17735.491    256.95827    256.95827    31863.991    31863.991   -407.99177   -407.99177 
Loop time of 21.6642 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.988 ns/day, 6.018 hours/ns, 46.159 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 21.282     | 21.282     | 21.282     |   0.0 | 98.24
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.064316   | 0.064316   | 0.064316   |   0.0 |  0.30
Output  | 0.0007943  | 0.0007943  | 0.0007943  |   0.0 |  0.00
Modify  | 0.27999    | 0.27999    | 0.27999    |   0.0 |  1.29
Other   |            | 0.03682    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224108.0 ave      224108 max      224108 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224108
Ave neighs/atom = 112.05400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.671919271727, Press = -1.60615304032407
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   52000   -17669.096   -17669.096   -17735.491   -17735.491    256.95827    256.95827    31863.991    31863.991   -407.99177   -407.99177 
   53000   -17670.348   -17670.348   -17735.819   -17735.819    253.37779    253.37779    31833.672    31833.672    2509.5716    2509.5716 
Loop time of 22.4586 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.847 ns/day, 6.238 hours/ns, 44.526 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.062     | 22.062     | 22.062     |   0.0 | 98.23
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.06722    | 0.06722    | 0.06722    |   0.0 |  0.30
Output  | 0.00015389 | 0.00015389 | 0.00015389 |   0.0 |  0.00
Modify  | 0.29136    | 0.29136    | 0.29136    |   0.0 |  1.30
Other   |            | 0.03826    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224088.0 ave      224088 max      224088 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224088
Ave neighs/atom = 112.04400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.681018592526, Press = -1.13269196130472
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   53000   -17670.348   -17670.348   -17735.819   -17735.819    253.37779    253.37779    31833.672    31833.672    2509.5716    2509.5716 
   54000   -17670.502   -17670.502   -17734.636   -17734.636    248.20741    248.20741     31884.41     31884.41   -2356.6719   -2356.6719 
Loop time of 22.4196 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.854 ns/day, 6.228 hours/ns, 44.604 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.023     | 22.023     | 22.023     |   0.0 | 98.23
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.066942   | 0.066942   | 0.066942   |   0.0 |  0.30
Output  | 0.0001546  | 0.0001546  | 0.0001546  |   0.0 |  0.00
Modify  | 0.29073    | 0.29073    | 0.29073    |   0.0 |  1.30
Other   |            | 0.03844    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224100.0 ave      224100 max      224100 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224100
Ave neighs/atom = 112.05000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.70830351104, Press = -1.04988472512151
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   54000   -17670.502   -17670.502   -17734.636   -17734.636    248.20741    248.20741     31884.41     31884.41   -2356.6719   -2356.6719 
   55000   -17667.491   -17667.491   -17733.648   -17733.648    256.03688    256.03688    31859.842    31859.842    338.09776    338.09776 
Loop time of 18.6879 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.623 ns/day, 5.191 hours/ns, 53.511 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 18.358     | 18.358     | 18.358     |   0.0 | 98.23
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.055785   | 0.055785   | 0.055785   |   0.0 |  0.30
Output  | 0.00028191 | 0.00028191 | 0.00028191 |   0.0 |  0.00
Modify  | 0.24234    | 0.24234    | 0.24234    |   0.0 |  1.30
Other   |            | 0.03193    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224090.0 ave      224090 max      224090 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224090
Ave neighs/atom = 112.04500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.731137730127, Press = -1.95551222264673
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   55000   -17667.491   -17667.491   -17733.648   -17733.648    256.03688    256.03688    31859.842    31859.842    338.09776    338.09776 
   56000   -17671.419   -17671.419   -17736.835   -17736.835    253.16964    253.16964    31822.367    31822.367    3189.2198    3189.2198 
Loop time of 11.7589 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.348 ns/day, 3.266 hours/ns, 85.042 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 11.551     | 11.551     | 11.551     |   0.0 | 98.23
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035275   | 0.035275   | 0.035275   |   0.0 |  0.30
Output  | 6.4967e-05 | 6.4967e-05 | 6.4967e-05 |   0.0 |  0.00
Modify  | 0.15215    | 0.15215    | 0.15215    |   0.0 |  1.29
Other   |            | 0.02032    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224102.0 ave      224102 max      224102 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224102
Ave neighs/atom = 112.05100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.749212030624, Press = -1.78710433556732
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   56000   -17671.419   -17671.419   -17736.835   -17736.835    253.16964    253.16964    31822.367    31822.367    3189.2198    3189.2198 
   57000   -17668.582   -17668.582    -17734.46    -17734.46    254.95315    254.95315    31844.664    31844.664    2086.3015    2086.3015 
Loop time of 21.0437 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.106 ns/day, 5.845 hours/ns, 47.520 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 20.671     | 20.671     | 20.671     |   0.0 | 98.23
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.062961   | 0.062961   | 0.062961   |   0.0 |  0.30
Output  | 0.00016599 | 0.00016599 | 0.00016599 |   0.0 |  0.00
Modify  | 0.27318    | 0.27318    | 0.27318    |   0.0 |  1.30
Other   |            | 0.03602    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224058.0 ave      224058 max      224058 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224058
Ave neighs/atom = 112.02900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.739562434867, Press = -0.419618969362786
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   57000   -17668.582   -17668.582    -17734.46    -17734.46    254.95315    254.95315    31844.664    31844.664    2086.3015    2086.3015 
   58000   -17667.218   -17667.218   -17734.093   -17734.093    258.81377    258.81377    31854.201    31854.201    740.49859    740.49859 
Loop time of 22.5007 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.840 ns/day, 6.250 hours/ns, 44.443 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.104     | 22.104     | 22.104     |   0.0 | 98.24
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.067217   | 0.067217   | 0.067217   |   0.0 |  0.30
Output  | 0.00014763 | 0.00014763 | 0.00014763 |   0.0 |  0.00
Modify  | 0.29082    | 0.29082    | 0.29082    |   0.0 |  1.29
Other   |            | 0.03832    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224096.0 ave      224096 max      224096 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224096
Ave neighs/atom = 112.04800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.724837670344, Press = -0.0813650369745988
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   58000   -17667.218   -17667.218   -17734.093   -17734.093    258.81377    258.81377    31854.201    31854.201    740.49859    740.49859 
   59000   -17670.184   -17670.184   -17734.642   -17734.642    249.45849    249.45849    31876.168    31876.168   -1764.8812   -1764.8812 
Loop time of 22.516 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.837 ns/day, 6.254 hours/ns, 44.413 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.119     | 22.119     | 22.119     |   0.0 | 98.24
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.066965   | 0.066965   | 0.066965   |   0.0 |  0.30
Output  | 0.000153   | 0.000153   | 0.000153   |   0.0 |  0.00
Modify  | 0.29101    | 0.29101    | 0.29101    |   0.0 |  1.29
Other   |            | 0.03837    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224110.0 ave      224110 max      224110 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224110
Ave neighs/atom = 112.05500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.760952740187, Press = -1.53149372644326
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   59000   -17670.184   -17670.184   -17734.642   -17734.642    249.45849    249.45849    31876.168    31876.168   -1764.8812   -1764.8812 
   60000   -17666.276   -17666.276   -17732.995   -17732.995    258.20991    258.20991    31889.204    31889.204   -2347.9371   -2347.9371 
Loop time of 22.5086 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.839 ns/day, 6.252 hours/ns, 44.428 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.112     | 22.112     | 22.112     |   0.0 | 98.24
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.067144   | 0.067144   | 0.067144   |   0.0 |  0.30
Output  | 9.9101e-05 | 9.9101e-05 | 9.9101e-05 |   0.0 |  0.00
Modify  | 0.29111    | 0.29111    | 0.29111    |   0.0 |  1.29
Other   |            | 0.03846    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224078.0 ave      224078 max      224078 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224078
Ave neighs/atom = 112.03900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.804624711539, Press = -1.7988287014355
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   60000   -17666.276   -17666.276   -17732.995   -17732.995    258.20991    258.20991    31889.204    31889.204   -2347.9371   -2347.9371 
   61000   -17668.695   -17668.695    -17735.26    -17735.26    257.61417    257.61417      31861.1      31861.1   -338.02478   -338.02478 
Loop time of 22.4779 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.844 ns/day, 6.244 hours/ns, 44.488 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.081     | 22.081     | 22.081     |   0.0 | 98.24
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.067449   | 0.067449   | 0.067449   |   0.0 |  0.30
Output  | 0.00015484 | 0.00015484 | 0.00015484 |   0.0 |  0.00
Modify  | 0.29074    | 0.29074    | 0.29074    |   0.0 |  1.29
Other   |            | 0.03817    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224072.0 ave      224072 max      224072 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224072
Ave neighs/atom = 112.03600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.820131287148, Press = -0.982694695686142
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   61000   -17668.695   -17668.695    -17735.26    -17735.26    257.61417    257.61417      31861.1      31861.1   -338.02478   -338.02478 
   62000   -17673.173   -17673.173   -17737.889   -17737.889    250.45786    250.45786    31831.504    31831.504    2168.9386    2168.9386 
Loop time of 22.5247 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.836 ns/day, 6.257 hours/ns, 44.396 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.129     | 22.129     | 22.129     |   0.0 | 98.24
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.066898   | 0.066898   | 0.066898   |   0.0 |  0.30
Output  | 0.00010001 | 0.00010001 | 0.00010001 |   0.0 |  0.00
Modify  | 0.29089    | 0.29089    | 0.29089    |   0.0 |  1.29
Other   |            | 0.03828    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224096.0 ave      224096 max      224096 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224096
Ave neighs/atom = 112.04800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.806060495831, Press = -1.72538701674725
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   62000   -17673.173   -17673.173   -17737.889   -17737.889    250.45786    250.45786    31831.504    31831.504    2168.9386    2168.9386 
   63000   -17668.625   -17668.625    -17734.76    -17734.76    255.95164    255.95164    31854.699    31854.699    528.99479    528.99479 
Loop time of 22.5111 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.838 ns/day, 6.253 hours/ns, 44.422 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.115     | 22.115     | 22.115     |   0.0 | 98.24
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.067202   | 0.067202   | 0.067202   |   0.0 |  0.30
Output  | 9.9406e-05 | 9.9406e-05 | 9.9406e-05 |   0.0 |  0.00
Modify  | 0.29083    | 0.29083    | 0.29083    |   0.0 |  1.29
Other   |            | 0.03835    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224088.0 ave      224088 max      224088 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224088
Ave neighs/atom = 112.04400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.795397404856, Press = -0.0300870052275946
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   63000   -17668.625   -17668.625    -17734.76    -17734.76    255.95164    255.95164    31854.699    31854.699    528.99479    528.99479 
   64000   -17670.394   -17670.394   -17734.905   -17734.905    249.66191    249.66191    31875.291    31875.291   -1364.8359   -1364.8359 
Loop time of 22.4972 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.840 ns/day, 6.249 hours/ns, 44.450 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    | 22.1       | 22.1       | 22.1       |   0.0 | 98.24
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.067331   | 0.067331   | 0.067331   |   0.0 |  0.30
Output  | 0.00015829 | 0.00015829 | 0.00015829 |   0.0 |  0.00
Modify  | 0.29097    | 0.29097    | 0.29097    |   0.0 |  1.29
Other   |            | 0.03824    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224090.0 ave      224090 max      224090 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224090
Ave neighs/atom = 112.04500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.777959565736, Press = -0.577856626441183
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   64000   -17670.394   -17670.394   -17734.905   -17734.905    249.66191    249.66191    31875.291    31875.291   -1364.8359   -1364.8359 
   65000    -17669.68    -17669.68   -17735.593   -17735.593    255.09038    255.09038    31864.869    31864.869   -240.13523   -240.13523 
Loop time of 22.4893 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.842 ns/day, 6.247 hours/ns, 44.466 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.093     | 22.093     | 22.093     |   0.0 | 98.24
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.066793   | 0.066793   | 0.066793   |   0.0 |  0.30
Output  | 0.00010062 | 0.00010062 | 0.00010062 |   0.0 |  0.00
Modify  | 0.29079    | 0.29079    | 0.29079    |   0.0 |  1.29
Other   |            | 0.03825    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224106.0 ave      224106 max      224106 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224106
Ave neighs/atom = 112.05300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.785234274454, Press = -1.3166569229223
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   65000    -17669.68    -17669.68   -17735.593   -17735.593    255.09038    255.09038    31864.869    31864.869   -240.13523   -240.13523 
   66000   -17667.414   -17667.414   -17732.614   -17732.614    252.33108    252.33108    31889.055    31889.055   -2033.9366   -2033.9366 
Loop time of 22.5067 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.839 ns/day, 6.252 hours/ns, 44.431 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.111     | 22.111     | 22.111     |   0.0 | 98.24
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.06733    | 0.06733    | 0.06733    |   0.0 |  0.30
Output  | 0.00010139 | 0.00010139 | 0.00010139 |   0.0 |  0.00
Modify  | 0.29026    | 0.29026    | 0.29026    |   0.0 |  1.29
Other   |            | 0.0382     |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224068.0 ave      224068 max      224068 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224068
Ave neighs/atom = 112.03400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.78950169276, Press = -0.186926981658266
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   66000   -17667.414   -17667.414   -17732.614   -17732.614    252.33108    252.33108    31889.055    31889.055   -2033.9366   -2033.9366 
   67000    -17670.03    -17670.03   -17736.165   -17736.165    255.94903    255.94903    31842.673    31842.673    1646.3067    1646.3067 
Loop time of 22.4768 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.844 ns/day, 6.244 hours/ns, 44.490 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.081     | 22.081     | 22.081     |   0.0 | 98.24
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.067183   | 0.067183   | 0.067183   |   0.0 |  0.30
Output  | 9.8201e-05 | 9.8201e-05 | 9.8201e-05 |   0.0 |  0.00
Modify  | 0.29052    | 0.29052    | 0.29052    |   0.0 |  1.29
Other   |            | 0.03828    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224104.0 ave      224104 max      224104 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224104
Ave neighs/atom = 112.05200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.814515597425, Press = -1.22113639319299
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   67000    -17670.03    -17670.03   -17736.165   -17736.165    255.94903    255.94903    31842.673    31842.673    1646.3067    1646.3067 
   68000   -17666.408   -17666.408   -17733.504   -17733.504    259.66947    259.66947    31848.299    31848.299    1691.7227    1691.7227 
Loop time of 22.4731 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.845 ns/day, 6.243 hours/ns, 44.498 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.077     | 22.077     | 22.077     |   0.0 | 98.24
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.067386   | 0.067386   | 0.067386   |   0.0 |  0.30
Output  | 0.00011276 | 0.00011276 | 0.00011276 |   0.0 |  0.00
Modify  | 0.29075    | 0.29075    | 0.29075    |   0.0 |  1.29
Other   |            | 0.03814    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224092.0 ave      224092 max      224092 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224092
Ave neighs/atom = 112.04600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.860451038887, Press = -0.25178582792967
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   68000   -17666.408   -17666.408   -17733.504   -17733.504    259.66947    259.66947    31848.299    31848.299    1691.7227    1691.7227 
   69000   -17670.218   -17670.218   -17735.273   -17735.273    251.76836    251.76836    31845.416    31845.416    1229.3068    1229.3068 
Loop time of 22.5111 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.838 ns/day, 6.253 hours/ns, 44.423 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.115     | 22.115     | 22.115     |   0.0 | 98.24
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.067066   | 0.067066   | 0.067066   |   0.0 |  0.30
Output  | 0.00015593 | 0.00015593 | 0.00015593 |   0.0 |  0.00
Modify  | 0.29084    | 0.29084    | 0.29084    |   0.0 |  1.29
Other   |            | 0.0383     |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224106.0 ave      224106 max      224106 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224106
Ave neighs/atom = 112.05300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.881134581474, Press = -0.636135820399801
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   69000   -17670.218   -17670.218   -17735.273   -17735.273    251.76836    251.76836    31845.416    31845.416    1229.3068    1229.3068 
   70000   -17667.058   -17667.058   -17734.976   -17734.976    262.84717    262.84717    31887.748    31887.748   -2634.0367   -2634.0367 
Loop time of 22.5001 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.840 ns/day, 6.250 hours/ns, 44.444 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.103     | 22.103     | 22.103     |   0.0 | 98.24
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.067176   | 0.067176   | 0.067176   |   0.0 |  0.30
Output  | 0.00010171 | 0.00010171 | 0.00010171 |   0.0 |  0.00
Modify  | 0.29128    | 0.29128    | 0.29128    |   0.0 |  1.29
Other   |            | 0.03819    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224084.0 ave      224084 max      224084 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224084
Ave neighs/atom = 112.04200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.927325840064, Press = -0.395163012870489
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   70000   -17667.058   -17667.058   -17734.976   -17734.976    262.84717    262.84717    31887.748    31887.748   -2634.0367   -2634.0367 
   71000   -17669.321   -17669.321   -17734.585   -17734.585    252.57878    252.57878    31895.507    31895.507   -2938.9108   -2938.9108 
Loop time of 22.4862 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.842 ns/day, 6.246 hours/ns, 44.472 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.089     | 22.089     | 22.089     |   0.0 | 98.23
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.067283   | 0.067283   | 0.067283   |   0.0 |  0.30
Output  | 9.9152e-05 | 9.9152e-05 | 9.9152e-05 |   0.0 |  0.00
Modify  | 0.29089    | 0.29089    | 0.29089    |   0.0 |  1.29
Other   |            | 0.03919    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224084.0 ave      224084 max      224084 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224084
Ave neighs/atom = 112.04200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.942367455783, Press = -0.722224052519551
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   71000   -17669.321   -17669.321   -17734.585   -17734.585    252.57878    252.57878    31895.507    31895.507   -2938.9108   -2938.9108 
   72000   -17669.932   -17669.932   -17733.837   -17733.837    247.31662    247.31662    31861.033    31861.033     71.90477     71.90477 
Loop time of 22.501 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.840 ns/day, 6.250 hours/ns, 44.442 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    | 22.104     | 22.104     | 22.104     |   0.0 | 98.24
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.067118   | 0.067118   | 0.067118   |   0.0 |  0.30
Output  | 0.00015232 | 0.00015232 | 0.00015232 |   0.0 |  0.00
Modify  | 0.29156    | 0.29156    | 0.29156    |   0.0 |  1.30
Other   |            | 0.03825    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224078.0 ave      224078 max      224078 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224078
Ave neighs/atom = 112.03900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.964459683626, Press = -0.617201390356164
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   72000   -17669.932   -17669.932   -17733.837   -17733.837    247.31662    247.31662    31861.033    31861.033     71.90477     71.90477 
   73000   -17669.345   -17669.345    -17733.84    -17733.84    249.60035    249.60035    31847.604    31847.604    1823.4112    1823.4112 
Loop time of 22.4405 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.850 ns/day, 6.233 hours/ns, 44.562 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.045     | 22.045     | 22.045     |   0.0 | 98.24
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.066947   | 0.066947   | 0.066947   |   0.0 |  0.30
Output  | 9.625e-05  | 9.625e-05  | 9.625e-05  |   0.0 |  0.00
Modify  | 0.2904     | 0.2904     | 0.2904     |   0.0 |  1.29
Other   |            | 0.0383     |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224108.0 ave      224108 max      224108 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224108
Ave neighs/atom = 112.05400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.967049671442, Press = -1.03112837014205
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   73000   -17669.345   -17669.345    -17733.84    -17733.84    249.60035    249.60035    31847.604    31847.604    1823.4112    1823.4112 
   74000   -17671.098   -17671.098   -17735.477   -17735.477    249.15184    249.15184     31856.35     31856.35    424.80229    424.80229 
Loop time of 22.4791 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.844 ns/day, 6.244 hours/ns, 44.486 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.082     | 22.082     | 22.082     |   0.0 | 98.23
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.067148   | 0.067148   | 0.067148   |   0.0 |  0.30
Output  | 0.00010082 | 0.00010082 | 0.00010082 |   0.0 |  0.00
Modify  | 0.29028    | 0.29028    | 0.29028    |   0.0 |  1.29
Other   |            | 0.03929    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224082.0 ave      224082 max      224082 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224082
Ave neighs/atom = 112.04100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.948794701153, Press = -0.294851280201642
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   74000   -17671.098   -17671.098   -17735.477   -17735.477    249.15184    249.15184     31856.35     31856.35    424.80229    424.80229 
   75000   -17668.644   -17668.644   -17735.279   -17735.279    257.88492    257.88492    31863.439    31863.439   -232.53473   -232.53473 
Loop time of 22.482 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.843 ns/day, 6.245 hours/ns, 44.480 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.086     | 22.086     | 22.086     |   0.0 | 98.24
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.067137   | 0.067137   | 0.067137   |   0.0 |  0.30
Output  | 9.5803e-05 | 9.5803e-05 | 9.5803e-05 |   0.0 |  0.00
Modify  | 0.29046    | 0.29046    | 0.29046    |   0.0 |  1.29
Other   |            | 0.03809    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224062.0 ave      224062 max      224062 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224062
Ave neighs/atom = 112.03100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.945021729273, Press = -0.872408603036874
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   75000   -17668.644   -17668.644   -17735.279   -17735.279    257.88492    257.88492    31863.439    31863.439   -232.53473   -232.53473 
   76000   -17670.312   -17670.312   -17734.098   -17734.098    246.85895    246.85895     31842.81     31842.81    2278.1715    2278.1715 
Loop time of 22.4865 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.842 ns/day, 6.246 hours/ns, 44.471 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.091     | 22.091     | 22.091     |   0.0 | 98.24
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.06703    | 0.06703    | 0.06703    |   0.0 |  0.30
Output  | 9.8141e-05 | 9.8141e-05 | 9.8141e-05 |   0.0 |  0.00
Modify  | 0.29026    | 0.29026    | 0.29026    |   0.0 |  1.29
Other   |            | 0.03836    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224096.0 ave      224096 max      224096 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224096
Ave neighs/atom = 112.04800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.957036112937, Press = -0.843353032937351
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   76000   -17670.312   -17670.312   -17734.098   -17734.098    246.85895    246.85895     31842.81     31842.81    2278.1715    2278.1715 
   77000   -17667.871   -17667.871   -17733.528   -17733.528    254.10151    254.10151    31877.475    31877.475   -1275.1475   -1275.1475 
Loop time of 22.5293 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.835 ns/day, 6.258 hours/ns, 44.387 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.133     | 22.133     | 22.133     |   0.0 | 98.24
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.066897   | 0.066897   | 0.066897   |   0.0 |  0.30
Output  | 0.00014924 | 0.00014924 | 0.00014924 |   0.0 |  0.00
Modify  | 0.29055    | 0.29055    | 0.29055    |   0.0 |  1.29
Other   |            | 0.03818    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224094.0 ave      224094 max      224094 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224094
Ave neighs/atom = 112.04700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.982951861319, Press = -0.336456444074449
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   77000   -17667.871   -17667.871   -17733.528   -17733.528    254.10151    254.10151    31877.475    31877.475   -1275.1475   -1275.1475 
   78000   -17670.587   -17670.587   -17735.293   -17735.293    250.41941    250.41941    31876.275    31876.275   -1242.4138   -1242.4138 
Loop time of 22.4731 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.845 ns/day, 6.243 hours/ns, 44.498 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.077     | 22.077     | 22.077     |   0.0 | 98.24
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.067238   | 0.067238   | 0.067238   |   0.0 |  0.30
Output  | 9.7147e-05 | 9.7147e-05 | 9.7147e-05 |   0.0 |  0.00
Modify  | 0.29007    | 0.29007    | 0.29007    |   0.0 |  1.29
Other   |            | 0.03823    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224080.0 ave      224080 max      224080 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224080
Ave neighs/atom = 112.04000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.983031830707, Press = -0.755963808349672
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   78000   -17670.587   -17670.587   -17735.293   -17735.293    250.41941    250.41941    31876.275    31876.275   -1242.4138   -1242.4138 
   79000    -17667.77    -17667.77   -17734.015   -17734.015    256.37441    256.37441    31850.208    31850.208    1617.5259    1617.5259 
Loop time of 22.4863 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.842 ns/day, 6.246 hours/ns, 44.472 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.091     | 22.091     | 22.091     |   0.0 | 98.24
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.067266   | 0.067266   | 0.067266   |   0.0 |  0.30
Output  | 9.4882e-05 | 9.4882e-05 | 9.4882e-05 |   0.0 |  0.00
Modify  | 0.29002    | 0.29002    | 0.29002    |   0.0 |  1.29
Other   |            | 0.038      |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224084.0 ave      224084 max      224084 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224084
Ave neighs/atom = 112.04200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.99476377278, Press = -0.528932701180737
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   79000    -17667.77    -17667.77   -17734.015   -17734.015    256.37441    256.37441    31850.208    31850.208    1617.5259    1617.5259 
   80000   -17671.797   -17671.797   -17735.438   -17735.438    246.29709    246.29709    31860.532    31860.532    324.44488    324.44488 
Loop time of 22.4666 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.846 ns/day, 6.241 hours/ns, 44.510 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.071     | 22.071     | 22.071     |   0.0 | 98.24
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.067355   | 0.067355   | 0.067355   |   0.0 |  0.30
Output  | 9.5911e-05 | 9.5911e-05 | 9.5911e-05 |   0.0 |  0.00
Modify  | 0.29039    | 0.29039    | 0.29039    |   0.0 |  1.29
Other   |            | 0.03807    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224096.0 ave      224096 max      224096 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224096
Ave neighs/atom = 112.04800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.025819070978, Press = -0.206253843001043
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   80000   -17671.797   -17671.797   -17735.438   -17735.438    246.29709    246.29709    31860.532    31860.532    324.44488    324.44488 
   81000   -17667.817   -17667.817   -17734.758   -17734.758    259.06878    259.06878    31856.736    31856.736    793.05519    793.05519 
Loop time of 22.466 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.846 ns/day, 6.241 hours/ns, 44.512 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.07      | 22.07      | 22.07      |   0.0 | 98.24
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.066811   | 0.066811   | 0.066811   |   0.0 |  0.30
Output  | 0.00012264 | 0.00012264 | 0.00012264 |   0.0 |  0.00
Modify  | 0.29064    | 0.29064    | 0.29064    |   0.0 |  1.29
Other   |            | 0.03826    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224084.0 ave      224084 max      224084 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224084
Ave neighs/atom = 112.04200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.030688565272, Press = -1.08843267415547
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   81000   -17667.817   -17667.817   -17734.758   -17734.758    259.06878    259.06878    31856.736    31856.736    793.05519    793.05519 
   82000   -17670.368   -17670.368   -17734.235   -17734.235    247.17396    247.17396      31880.6      31880.6   -1323.6742   -1323.6742 
Loop time of 22.4534 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.848 ns/day, 6.237 hours/ns, 44.537 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.058     | 22.058     | 22.058     |   0.0 | 98.24
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.066956   | 0.066956   | 0.066956   |   0.0 |  0.30
Output  | 0.00014437 | 0.00014437 | 0.00014437 |   0.0 |  0.00
Modify  | 0.29055    | 0.29055    | 0.29055    |   0.0 |  1.29
Other   |            | 0.03816    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224080.0 ave      224080 max      224080 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224080
Ave neighs/atom = 112.04000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.03014583523, Press = -0.924696608155413
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   82000   -17670.368   -17670.368   -17734.235   -17734.235    247.17396    247.17396      31880.6      31880.6   -1323.6742   -1323.6742 
   83000   -17668.925   -17668.925   -17734.656   -17734.656    254.38882    254.38882    31855.086    31855.086    820.19452    820.19452 
Loop time of 22.4824 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.843 ns/day, 6.245 hours/ns, 44.479 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.087     | 22.087     | 22.087     |   0.0 | 98.24
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.066801   | 0.066801   | 0.066801   |   0.0 |  0.30
Output  | 9.9532e-05 | 9.9532e-05 | 9.9532e-05 |   0.0 |  0.00
Modify  | 0.29032    | 0.29032    | 0.29032    |   0.0 |  1.29
Other   |            | 0.03825    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224072.0 ave      224072 max      224072 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224072
Ave neighs/atom = 112.03600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.065944935777, Press = -0.46051066266721
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   83000   -17668.925   -17668.925   -17734.656   -17734.656    254.38882    254.38882    31855.086    31855.086    820.19452    820.19452 
   84000     -17667.7     -17667.7   -17734.143   -17734.143    257.14021    257.14021    31868.603    31868.603   -191.92446   -191.92446 
Loop time of 22.4994 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.840 ns/day, 6.250 hours/ns, 44.446 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.103     | 22.103     | 22.103     |   0.0 | 98.24
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.067218   | 0.067218   | 0.067218   |   0.0 |  0.30
Output  | 9.8907e-05 | 9.8907e-05 | 9.8907e-05 |   0.0 |  0.00
Modify  | 0.29075    | 0.29075    | 0.29075    |   0.0 |  1.29
Other   |            | 0.03806    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224100.0 ave      224100 max      224100 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224100
Ave neighs/atom = 112.05000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.075728537862, Press = -0.647696682010518
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   84000     -17667.7     -17667.7   -17734.143   -17734.143    257.14021    257.14021    31868.603    31868.603   -191.92446   -191.92446 
   85000   -17669.626   -17669.626   -17735.119   -17735.119    253.46521    253.46521    31904.615    31904.615   -3882.5906   -3882.5906 
Loop time of 22.4855 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.842 ns/day, 6.246 hours/ns, 44.473 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.089     | 22.089     | 22.089     |   0.0 | 98.24
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.067107   | 0.067107   | 0.067107   |   0.0 |  0.30
Output  | 9.6635e-05 | 9.6635e-05 | 9.6635e-05 |   0.0 |  0.00
Modify  | 0.29068    | 0.29068    | 0.29068    |   0.0 |  1.29
Other   |            | 0.0382     |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224112.0 ave      224112 max      224112 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224112
Ave neighs/atom = 112.05600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.092653323039, Press = -0.622821661787664
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   85000   -17669.626   -17669.626   -17735.119   -17735.119    253.46521    253.46521    31904.615    31904.615   -3882.5906   -3882.5906 
   86000   -17667.563   -17667.563   -17733.779   -17733.779    256.26244    256.26244    31881.769    31881.769   -1284.1977   -1284.1977 
Loop time of 22.4456 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.849 ns/day, 6.235 hours/ns, 44.552 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.05      | 22.05      | 22.05      |   0.0 | 98.24
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.067091   | 0.067091   | 0.067091   |   0.0 |  0.30
Output  | 9.6306e-05 | 9.6306e-05 | 9.6306e-05 |   0.0 |  0.00
Modify  | 0.29005    | 0.29005    | 0.29005    |   0.0 |  1.29
Other   |            | 0.03811    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224048.0 ave      224048 max      224048 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224048
Ave neighs/atom = 112.02400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.090553775029, Press = -0.65411785301267
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   86000   -17667.563   -17667.563   -17733.779   -17733.779    256.26244    256.26244    31881.769    31881.769   -1284.1977   -1284.1977 
   87000   -17670.413   -17670.413   -17736.934   -17736.934    257.44388    257.44388    31837.691    31837.691    2046.1966    2046.1966 
Loop time of 22.4411 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.850 ns/day, 6.234 hours/ns, 44.561 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.046     | 22.046     | 22.046     |   0.0 | 98.24
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.066981   | 0.066981   | 0.066981   |   0.0 |  0.30
Output  | 9.7209e-05 | 9.7209e-05 | 9.7209e-05 |   0.0 |  0.00
Modify  | 0.29019    | 0.29019    | 0.29019    |   0.0 |  1.29
Other   |            | 0.0381     |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224086.0 ave      224086 max      224086 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224086
Ave neighs/atom = 112.04300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.088848208824, Press = -0.753960137863367
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   87000   -17670.413   -17670.413   -17736.934   -17736.934    257.44388    257.44388    31837.691    31837.691    2046.1966    2046.1966 
   88000   -17668.629   -17668.629   -17735.797   -17735.797    259.94706    259.94706    31880.442    31880.442   -1887.5647   -1887.5647 
Loop time of 22.4825 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.843 ns/day, 6.245 hours/ns, 44.479 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.087     | 22.087     | 22.087     |   0.0 | 98.24
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.067169   | 0.067169   | 0.067169   |   0.0 |  0.30
Output  | 0.00014919 | 0.00014919 | 0.00014919 |   0.0 |  0.00
Modify  | 0.29032    | 0.29032    | 0.29032    |   0.0 |  1.29
Other   |            | 0.0381     |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224076.0 ave      224076 max      224076 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224076
Ave neighs/atom = 112.03800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.072348201647, Press = -0.397892526296929
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   88000   -17668.629   -17668.629   -17735.797   -17735.797    259.94706    259.94706    31880.442    31880.442   -1887.5647   -1887.5647 
   89000   -17673.001   -17673.001   -17737.112   -17737.112    248.11299    248.11299    31865.889    31865.889   -841.65845   -841.65845 
Loop time of 22.4509 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.848 ns/day, 6.236 hours/ns, 44.542 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.055     | 22.055     | 22.055     |   0.0 | 98.24
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.066928   | 0.066928   | 0.066928   |   0.0 |  0.30
Output  | 9.6747e-05 | 9.6747e-05 | 9.6747e-05 |   0.0 |  0.00
Modify  | 0.29065    | 0.29065    | 0.29065    |   0.0 |  1.29
Other   |            | 0.03805    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224084.0 ave      224084 max      224084 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224084
Ave neighs/atom = 112.04200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.053888735848, Press = -0.694435469224529
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   89000   -17673.001   -17673.001   -17737.112   -17737.112    248.11299    248.11299    31865.889    31865.889   -841.65845   -841.65845 
   90000   -17669.163   -17669.163   -17734.046   -17734.046    251.10628    251.10628    31865.576    31865.576    239.18063    239.18063 
Loop time of 22.4649 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.846 ns/day, 6.240 hours/ns, 44.514 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.069     | 22.069     | 22.069     |   0.0 | 98.24
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.06753    | 0.06753    | 0.06753    |   0.0 |  0.30
Output  | 9.7723e-05 | 9.7723e-05 | 9.7723e-05 |   0.0 |  0.00
Modify  | 0.29053    | 0.29053    | 0.29053    |   0.0 |  1.29
Other   |            | 0.03803    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224100.0 ave      224100 max      224100 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224100
Ave neighs/atom = 112.05000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.040228558192, Press = -1.02918409068981
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   90000   -17669.163   -17669.163   -17734.046   -17734.046    251.10628    251.10628    31865.576    31865.576    239.18063    239.18063 
   91000   -17670.021   -17670.021   -17734.114   -17734.114    248.04683    248.04683    31867.047    31867.047   -407.59582   -407.59582 
Loop time of 22.4643 on 1 procs for 1000 steps with 2000 atoms

Performance: 3.846 ns/day, 6.240 hours/ns, 44.515 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 22.069     | 22.069     | 22.069     |   0.0 | 98.24
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.067004   | 0.067004   | 0.067004   |   0.0 |  0.30
Output  | 9.7021e-05 | 9.7021e-05 | 9.7021e-05 |   0.0 |  0.00
Modify  | 0.29049    | 0.29049    | 0.29049    |   0.0 |  1.29
Other   |            | 0.03801    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224082.0 ave      224082 max      224082 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224082
Ave neighs/atom = 112.04100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${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
31862.9518861331

print "LAMMPS calculation completed"
LAMMPS calculation completed
quit 0