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

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

# create a supercell with cubic lattice (fcc, bcc, sc, or diamond)
# using 10*10*10 conventional (orthogonal) unit cells
variable latticeconst_converted equal 2.84364253282547*${_u_distance}
variable latticeconst_converted equal 2.84364253282547*1
lattice       bcc  ${latticeconst_converted}
lattice       bcc  2.84364253282547
Lattice spacing in x,y,z = 2.8436425 2.8436425 2.8436425
region        simbox  block 0 10 0 10 0 10 units lattice
create_box    1 simbox
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (28.436425 28.436425 28.436425)
  1 by 1 by 1 MPI processor grid
create_atoms  1 box
Created 2000 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (28.436425 28.436425 28.436425)
  create_atoms CPU = 0.001 seconds

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

kim_interactions Fe

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

kim interactions Fe
#=== BEGIN kim interactions ==================================
pair_style kim EAM_Dynamo_SunZhangMendelev_2022_Fe__MO_044341472608_000
pair_coeff * * Fe
#=== END kim interactions ====================================


mass          1 ${mass_converted}
mass          1 55.845

# initial volume
variable      v equal vol        # assign formula
variable      V0 equal ${v}    # evaluate initial value
variable      V0 equal 22994.5547303473    
variable      V0_metal equal ${V0}/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 22994.5547303473/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 22994.5547303473/(1*${_u_distance}*${_u_distance})
variable      V0_metal equal 22994.5547303473/(1*1*${_u_distance})
variable      V0_metal equal 22994.5547303473/(1*1*1)
variable      V0_metal_times1000 equal ${V0_metal}*1000
variable      V0_metal_times1000 equal 22994.5547303473*1000

print "Initial system volume: ${V0_metal} Angstroms^3"
Initial system volume: 22994.5547303473 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 293.15*${_u_temperature}
variable temp_converted equal 293.15*1
variable Tdamp_converted equal 0.1*${_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 293.15 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 293.15 ${temp_converted} ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 293.15 293.15 ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 293.15 293.15 0.1               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 293.15 293.15 0.1               iso 0 ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 293.15 293.15 0.1               iso 0 0 ${Pdamp_converted}
fix           ensemble all npt temp 293.15 293.15 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  "293.15 - 0.2"
variable      T_up  equal  "293.15 + 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_044341472608_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 = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
       0   -7967.5376   -7967.5376    -8043.285    -8043.285       293.15       293.15    22994.555    22994.555    3518.6283    3518.6283 
    1000   -7894.5576   -7894.5576   -7966.8603   -7966.8603    279.81866    279.81866    23153.555    23153.555   -1773.0184   -1773.0184 
Loop time of 13.5797 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.362 ns/day, 3.772 hours/ns, 73.640 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.368     | 13.368     | 13.368     |   0.0 | 98.44
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.042316   | 0.042316   | 0.042316   |   0.0 |  0.31
Output  | 0.00027531 | 0.00027531 | 0.00027531 |   0.0 |  0.00
Modify  | 0.14463    | 0.14463    | 0.14463    |   0.0 |  1.07
Other   |            | 0.02429    |            |       |  0.18

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      336000.0 ave      336000 max      336000 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 336000
Ave neighs/atom = 168.00000
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 = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    1000   -7894.5576   -7894.5576   -7966.8603   -7966.8603    279.81866    279.81866    23153.555    23153.555   -1773.0184   -1773.0184 
    2000   -7892.1323   -7892.1323   -7969.9774   -7969.9774    301.26884    301.26884    23159.293    23159.293   -3095.7801   -3095.7801 
Loop time of 13.9555 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.191 ns/day, 3.877 hours/ns, 71.656 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.747     | 13.747     | 13.747     |   0.0 | 98.51
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041856   | 0.041856   | 0.041856   |   0.0 |  0.30
Output  | 0.00012013 | 0.00012013 | 0.00012013 |   0.0 |  0.00
Modify  | 0.14276    | 0.14276    | 0.14276    |   0.0 |  1.02
Other   |            | 0.02346    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343210.0 ave      343210 max      343210 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343210
Ave neighs/atom = 171.60500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    2000   -7892.1323   -7892.1323   -7969.9774   -7969.9774    301.26884    301.26884    23159.293    23159.293   -3095.7801   -3095.7801 
    3000    -7894.184    -7894.184   -7969.1102   -7969.1102    289.97205    289.97205    23105.785    23105.785    2197.9648    2197.9648 
Loop time of 14.0169 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.164 ns/day, 3.894 hours/ns, 71.342 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.808     | 13.808     | 13.808     |   0.0 | 98.51
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.042147   | 0.042147   | 0.042147   |   0.0 |  0.30
Output  | 0.00012342 | 0.00012342 | 0.00012342 |   0.0 |  0.00
Modify  | 0.14351    | 0.14351    | 0.14351    |   0.0 |  1.02
Other   |            | 0.02339    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343058.0 ave      343058 max      343058 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343058
Ave neighs/atom = 171.52900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    3000    -7894.184    -7894.184   -7969.1102   -7969.1102    289.97205    289.97205    23105.785    23105.785    2197.9648    2197.9648 
    4000   -7891.9944   -7891.9944   -7967.9627   -7967.9627    294.00516    294.00516    23114.489    23114.489    1595.5437    1595.5437 
Loop time of 14.0079 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.168 ns/day, 3.891 hours/ns, 71.388 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.8       | 13.8       | 13.8       |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041713   | 0.041713   | 0.041713   |   0.0 |  0.30
Output  | 0.00012897 | 0.00012897 | 0.00012897 |   0.0 |  0.00
Modify  | 0.1426     | 0.1426     | 0.1426     |   0.0 |  1.02
Other   |            | 0.02341    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343356.0 ave      343356 max      343356 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343356
Ave neighs/atom = 171.67800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    4000   -7891.9944   -7891.9944   -7967.9627   -7967.9627    294.00516    294.00516    23114.489    23114.489    1595.5437    1595.5437 
    5000   -7894.9488   -7894.9488   -7969.5125   -7969.5125     288.5691     288.5691     23144.17     23144.17   -1666.7502   -1666.7502 
Loop time of 14.903 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.797 ns/day, 4.140 hours/ns, 67.100 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.672     | 14.672     | 14.672     |   0.0 | 98.45
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.045596   | 0.045596   | 0.045596   |   0.0 |  0.31
Output  | 6.2593e-05 | 6.2593e-05 | 6.2593e-05 |   0.0 |  0.00
Modify  | 0.15842    | 0.15842    | 0.15842    |   0.0 |  1.06
Other   |            | 0.02653    |            |       |  0.18

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343328.0 ave      343328 max      343328 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343328
Ave neighs/atom = 171.66400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.72439184486, Press = 180.228469196854
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    5000   -7894.9488   -7894.9488   -7969.5125   -7969.5125     288.5691     288.5691     23144.17     23144.17   -1666.7502   -1666.7502 
    6000   -7891.0537   -7891.0537   -7967.7439   -7967.7439    296.79883    296.79883    23129.524    23129.524    270.69638    270.69638 
Loop time of 15.4169 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.604 ns/day, 4.282 hours/ns, 64.864 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 15.154     | 15.154     | 15.154     |   0.0 | 98.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.052401   | 0.052401   | 0.052401   |   0.0 |  0.34
Output  | 9.2312e-05 | 9.2312e-05 | 9.2312e-05 |   0.0 |  0.00
Modify  | 0.17804    | 0.17804    | 0.17804    |   0.0 |  1.15
Other   |            | 0.03278    |            |       |  0.21

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343052.0 ave      343052 max      343052 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343052
Ave neighs/atom = 171.52600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.122314022729, Press = 47.698864284637
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    6000   -7891.0537   -7891.0537   -7967.7439   -7967.7439    296.79883    296.79883    23129.524    23129.524    270.69638    270.69638 
    7000    -7897.489    -7897.489   -7971.5678   -7971.5678    286.69277    286.69277    23123.864    23123.864    12.278494    12.278494 
Loop time of 15.19 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.688 ns/day, 4.219 hours/ns, 65.833 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.94      | 14.94      | 14.94      |   0.0 | 98.35
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.048764   | 0.048764   | 0.048764   |   0.0 |  0.32
Output  | 6.432e-05  | 6.432e-05  | 6.432e-05  |   0.0 |  0.00
Modify  | 0.17079    | 0.17079    | 0.17079    |   0.0 |  1.12
Other   |            | 0.03073    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343298.0 ave      343298 max      343298 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343298
Ave neighs/atom = 171.64900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 291.845987731664, Press = 12.9249962332021
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    7000    -7897.489    -7897.489   -7971.5678   -7971.5678    286.69277    286.69277    23123.864    23123.864    12.278494    12.278494 
    8000   -7892.6203   -7892.6203    -7967.981    -7967.981    291.65345    291.65345    23118.102    23118.102    431.36674    431.36674 
Loop time of 15.0577 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.738 ns/day, 4.183 hours/ns, 66.411 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.807     | 14.807     | 14.807     |   0.0 | 98.33
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.049384   | 0.049384   | 0.049384   |   0.0 |  0.33
Output  | 6.462e-05  | 6.462e-05  | 6.462e-05  |   0.0 |  0.00
Modify  | 0.1715     | 0.1715     | 0.1715     |   0.0 |  1.14
Other   |            | 0.03016    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343094.0 ave      343094 max      343094 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343094
Ave neighs/atom = 171.54700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 291.566311851584, Press = 7.31231259131667
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    8000   -7892.6203   -7892.6203    -7967.981    -7967.981    291.65345    291.65345    23118.102    23118.102    431.36674    431.36674 
    9000   -7896.5925   -7896.5925   -7971.1619   -7971.1619    288.59153    288.59153     23106.83     23106.83    1309.7839    1309.7839 
Loop time of 15.4832 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.580 ns/day, 4.301 hours/ns, 64.586 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 15.215     | 15.215     | 15.215     |   0.0 | 98.27
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.052257   | 0.052257   | 0.052257   |   0.0 |  0.34
Output  | 6.7516e-05 | 6.7516e-05 | 6.7516e-05 |   0.0 |  0.00
Modify  | 0.18196    | 0.18196    | 0.18196    |   0.0 |  1.18
Other   |            | 0.03377    |            |       |  0.22

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343260.0 ave      343260 max      343260 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343260
Ave neighs/atom = 171.63000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 291.633809601486, Press = -28.8540363485156
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    9000   -7896.5925   -7896.5925   -7971.1619   -7971.1619    288.59153    288.59153     23106.83     23106.83    1309.7839    1309.7839 
   10000   -7891.6903   -7891.6903   -7968.2038   -7968.2038    296.11496    296.11496    23111.907    23111.907    1347.6889    1347.6889 
Loop time of 14.769 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.850 ns/day, 4.102 hours/ns, 67.709 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.529     | 14.529     | 14.529     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.046856   | 0.046856   | 0.046856   |   0.0 |  0.32
Output  | 9.3433e-05 | 9.3433e-05 | 9.3433e-05 |   0.0 |  0.00
Modify  | 0.16549    | 0.16549    | 0.16549    |   0.0 |  1.12
Other   |            | 0.0276     |            |       |  0.19

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343272.0 ave      343272 max      343272 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343272
Ave neighs/atom = 171.63600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 291.666815096202, Press = 6.82701340490008
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   10000   -7891.6903   -7891.6903   -7968.2038   -7968.2038    296.11496    296.11496    23111.907    23111.907    1347.6889    1347.6889 
   11000   -7889.5548   -7889.5548   -7965.5838   -7965.5838    294.24005    294.24005    23136.958    23136.958   -950.81211   -950.81211 
Loop time of 14.693 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.880 ns/day, 4.081 hours/ns, 68.060 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.456     | 14.456     | 14.456     |   0.0 | 98.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.046586   | 0.046586   | 0.046586   |   0.0 |  0.32
Output  | 6.3908e-05 | 6.3908e-05 | 6.3908e-05 |   0.0 |  0.00
Modify  | 0.16332    | 0.16332    | 0.16332    |   0.0 |  1.11
Other   |            | 0.0266     |            |       |  0.18

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343494.0 ave      343494 max      343494 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343494
Ave neighs/atom = 171.74700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 291.857734168453, Press = -1.85335309073461
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   11000   -7889.5548   -7889.5548   -7965.5838   -7965.5838    294.24005    294.24005    23136.958    23136.958   -950.81211   -950.81211 
   12000   -7891.5171   -7891.5171   -7969.4526   -7969.4526    301.61846    301.61846    23116.442    23116.442    1338.3323    1338.3323 
Loop time of 14.8913 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.802 ns/day, 4.136 hours/ns, 67.153 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.649     | 14.649     | 14.649     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.047349   | 0.047349   | 0.047349   |   0.0 |  0.32
Output  | 6.0719e-05 | 6.0719e-05 | 6.0719e-05 |   0.0 |  0.00
Modify  | 0.16711    | 0.16711    | 0.16711    |   0.0 |  1.12
Other   |            | 0.02756    |            |       |  0.19

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343100.0 ave      343100 max      343100 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343100
Ave neighs/atom = 171.55000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 291.994529035058, Press = -1.42027210385901
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   12000   -7891.5171   -7891.5171   -7969.4526   -7969.4526    301.61846    301.61846    23116.442    23116.442    1338.3323    1338.3323 
   13000   -7896.1323   -7896.1323   -7969.3403   -7969.3403    283.32248    283.32248    23102.584    23102.584    2323.3064    2323.3064 
Loop time of 14.8843 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.805 ns/day, 4.135 hours/ns, 67.185 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.637     | 14.637     | 14.637     |   0.0 | 98.34
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.049456   | 0.049456   | 0.049456   |   0.0 |  0.33
Output  | 6.513e-05  | 6.513e-05  | 6.513e-05  |   0.0 |  0.00
Modify  | 0.16669    | 0.16669    | 0.16669    |   0.0 |  1.12
Other   |            | 0.03147    |            |       |  0.21

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343358.0 ave      343358 max      343358 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343358
Ave neighs/atom = 171.67900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 291.821629307255, Press = -1.64360391995648
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   13000   -7896.1323   -7896.1323   -7969.3403   -7969.3403    283.32248    283.32248    23102.584    23102.584    2323.3064    2323.3064 
   14000   -7892.2859   -7892.2859   -7970.2481   -7970.2481    301.72201    301.72201    23144.094    23144.094   -1256.7712   -1256.7712 
Loop time of 15.0182 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.753 ns/day, 4.172 hours/ns, 66.586 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.771     | 14.771     | 14.771     |   0.0 | 98.36
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.048007   | 0.048007   | 0.048007   |   0.0 |  0.32
Output  | 0.00010445 | 0.00010445 | 0.00010445 |   0.0 |  0.00
Modify  | 0.17068    | 0.17068    | 0.17068    |   0.0 |  1.14
Other   |            | 0.0281     |            |       |  0.19

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343330.0 ave      343330 max      343330 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343330
Ave neighs/atom = 171.66500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 291.834344313663, Press = 2.91369469499965
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   14000   -7892.2859   -7892.2859   -7970.2481   -7970.2481    301.72201    301.72201    23144.094    23144.094   -1256.7712   -1256.7712 
   15000   -7898.2105   -7898.2105   -7970.4801   -7970.4801    279.69082    279.69082    23120.089    23120.089    772.26375    772.26375 
Loop time of 15.1333 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.709 ns/day, 4.204 hours/ns, 66.079 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.882     | 14.882     | 14.882     |   0.0 | 98.34
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.049464   | 0.049464   | 0.049464   |   0.0 |  0.33
Output  | 6.7267e-05 | 6.7267e-05 | 6.7267e-05 |   0.0 |  0.00
Modify  | 0.17194    | 0.17194    | 0.17194    |   0.0 |  1.14
Other   |            | 0.03009    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      342946.0 ave      342946 max      342946 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 342946
Ave neighs/atom = 171.47300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 291.66443029457, Press = -4.61541166107772
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   15000   -7898.2105   -7898.2105   -7970.4801   -7970.4801    279.69082    279.69082    23120.089    23120.089    772.26375    772.26375 
   16000   -7892.3991   -7892.3991    -7966.825    -7966.825    288.03604    288.03604    23144.075    23144.075   -339.50841   -339.50841 
Loop time of 14.6791 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.886 ns/day, 4.078 hours/ns, 68.124 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.446     | 14.446     | 14.446     |   0.0 | 98.41
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.045296   | 0.045296   | 0.045296   |   0.0 |  0.31
Output  | 6.4441e-05 | 6.4441e-05 | 6.4441e-05 |   0.0 |  0.00
Modify  | 0.16175    | 0.16175    | 0.16175    |   0.0 |  1.10
Other   |            | 0.02641    |            |       |  0.18

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343254.0 ave      343254 max      343254 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343254
Ave neighs/atom = 171.62700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 291.719787495519, Press = 8.99894721424323
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   16000   -7892.3991   -7892.3991    -7966.825    -7966.825    288.03604    288.03604    23144.075    23144.075   -339.50841   -339.50841 
   17000     -7894.62     -7894.62   -7969.1809   -7969.1809     288.5584     288.5584    23150.692    23150.692   -864.92841   -864.92841 
Loop time of 14.5148 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.953 ns/day, 4.032 hours/ns, 68.895 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.286     | 14.286     | 14.286     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.044102   | 0.044102   | 0.044102   |   0.0 |  0.30
Output  | 6.5366e-05 | 6.5366e-05 | 6.5366e-05 |   0.0 |  0.00
Modify  | 0.15782    | 0.15782    | 0.15782    |   0.0 |  1.09
Other   |            | 0.02676    |            |       |  0.18

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343092.0 ave      343092 max      343092 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343092
Ave neighs/atom = 171.54600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 291.608603055161, Press = -0.26410683730661
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   17000     -7894.62     -7894.62   -7969.1809   -7969.1809     288.5584     288.5584    23150.692    23150.692   -864.92841   -864.92841 
   18000   -7893.0748   -7893.0748   -7968.2824   -7968.2824    291.06085    291.06085    23136.227    23136.227    -654.6248    -654.6248 
Loop time of 15.0103 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.756 ns/day, 4.170 hours/ns, 66.621 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.764     | 14.764     | 14.764     |   0.0 | 98.36
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.046853   | 0.046853   | 0.046853   |   0.0 |  0.31
Output  | 8.5679e-05 | 8.5679e-05 | 8.5679e-05 |   0.0 |  0.00
Modify  | 0.16956    | 0.16956    | 0.16956    |   0.0 |  1.13
Other   |            | 0.02953    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343016.0 ave      343016 max      343016 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343016
Ave neighs/atom = 171.50800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 291.712448086401, Press = 2.15296797897855
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   18000   -7893.0748   -7893.0748   -7968.2824   -7968.2824    291.06085    291.06085    23136.227    23136.227    -654.6248    -654.6248 
   19000   -7896.7273   -7896.7273   -7971.0477   -7971.0477    287.62757    287.62757    23096.727    23096.727    2199.6364    2199.6364 
Loop time of 15.0427 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.744 ns/day, 4.179 hours/ns, 66.478 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.798     | 14.798     | 14.798     |   0.0 | 98.38
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.046571   | 0.046571   | 0.046571   |   0.0 |  0.31
Output  | 5.9757e-05 | 5.9757e-05 | 5.9757e-05 |   0.0 |  0.00
Modify  | 0.1692     | 0.1692     | 0.1692     |   0.0 |  1.12
Other   |            | 0.02856    |            |       |  0.19

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343084.0 ave      343084 max      343084 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343084
Ave neighs/atom = 171.54200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 291.74528267825, Press = -3.29211171152
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   19000   -7896.7273   -7896.7273   -7971.0477   -7971.0477    287.62757    287.62757    23096.727    23096.727    2199.6364    2199.6364 
   20000   -7891.9074   -7891.9074   -7967.0276   -7967.0276    290.72283    290.72283    23065.483    23065.483    4660.6323    4660.6323 
Loop time of 14.9556 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.777 ns/day, 4.154 hours/ns, 66.864 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.716     | 14.716     | 14.716     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.045776   | 0.045776   | 0.045776   |   0.0 |  0.31
Output  | 6.9412e-05 | 6.9412e-05 | 6.9412e-05 |   0.0 |  0.00
Modify  | 0.16738    | 0.16738    | 0.16738    |   0.0 |  1.12
Other   |            | 0.02646    |            |       |  0.18

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343434.0 ave      343434 max      343434 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343434
Ave neighs/atom = 171.71700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 291.631408170762, Press = 4.67915911176247
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   20000   -7891.9074   -7891.9074   -7967.0276   -7967.0276    290.72283    290.72283    23065.483    23065.483    4660.6323    4660.6323 
   21000   -7893.3782   -7893.3782   -7967.4106   -7967.4106    286.51293    286.51293    23064.655    23064.655    4425.2926    4425.2926 
Loop time of 14.8982 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.799 ns/day, 4.138 hours/ns, 67.122 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.657     | 14.657     | 14.657     |   0.0 | 98.38
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.046202   | 0.046202   | 0.046202   |   0.0 |  0.31
Output  | 6.6899e-05 | 6.6899e-05 | 6.6899e-05 |   0.0 |  0.00
Modify  | 0.16755    | 0.16755    | 0.16755    |   0.0 |  1.12
Other   |            | 0.02703    |            |       |  0.18

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343830.0 ave      343830 max      343830 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343830
Ave neighs/atom = 171.91500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 291.76290257136, Press = 2.26363191283259
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   21000   -7893.3782   -7893.3782   -7967.4106   -7967.4106    286.51293    286.51293    23064.655    23064.655    4425.2926    4425.2926 
   22000   -7890.6807   -7890.6807    -7967.184    -7967.184    296.07557    296.07557    23140.588    23140.588   -1721.1423   -1721.1423 
Loop time of 14.9959 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.762 ns/day, 4.166 hours/ns, 66.685 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.751     | 14.751     | 14.751     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.046844   | 0.046844   | 0.046844   |   0.0 |  0.31
Output  | 9.3236e-05 | 9.3236e-05 | 9.3236e-05 |   0.0 |  0.00
Modify  | 0.17064    | 0.17064    | 0.17064    |   0.0 |  1.14
Other   |            | 0.02685    |            |       |  0.18

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343872.0 ave      343872 max      343872 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343872
Ave neighs/atom = 171.93600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 291.853112916022, Press = 4.5234130733651
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   22000   -7890.6807   -7890.6807    -7967.184    -7967.184    296.07557    296.07557    23140.588    23140.588   -1721.1423   -1721.1423 
   23000   -7895.0446   -7895.0446   -7969.3495   -7969.3495    287.56776    287.56776    23139.508    23139.508   -1167.0407   -1167.0407 
Loop time of 15.2473 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.667 ns/day, 4.235 hours/ns, 65.586 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 15         | 15         | 15         |   0.0 | 98.38
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.047508   | 0.047508   | 0.047508   |   0.0 |  0.31
Output  | 9.6141e-05 | 9.6141e-05 | 9.6141e-05 |   0.0 |  0.00
Modify  | 0.17252    | 0.17252    | 0.17252    |   0.0 |  1.13
Other   |            | 0.02739    |            |       |  0.18

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343106.0 ave      343106 max      343106 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343106
Ave neighs/atom = 171.55300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 291.936109395443, Press = 2.38350546348331
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   23000   -7895.0446   -7895.0446   -7969.3495   -7969.3495    287.56776    287.56776    23139.508    23139.508   -1167.0407   -1167.0407 
   24000   -7888.3514   -7888.3514   -7966.6053   -7966.6053    302.85052    302.85052    23156.002    23156.002   -949.42565   -949.42565 
Loop time of 15.3515 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.628 ns/day, 4.264 hours/ns, 65.140 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 15.086     | 15.086     | 15.086     |   0.0 | 98.27
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.05096    | 0.05096    | 0.05096    |   0.0 |  0.33
Output  | 8.606e-05  | 8.606e-05  | 8.606e-05  |   0.0 |  0.00
Modify  | 0.18261    | 0.18261    | 0.18261    |   0.0 |  1.19
Other   |            | 0.03196    |            |       |  0.21

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343118.0 ave      343118 max      343118 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343118
Ave neighs/atom = 171.55900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.061212911798, Press = -2.52160891510749
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   24000   -7888.3514   -7888.3514   -7966.6053   -7966.6053    302.85052    302.85052    23156.002    23156.002   -949.42565   -949.42565 
   25000   -7893.4574   -7893.4574   -7968.6366   -7968.6366    290.95147    290.95147    23136.429    23136.429   -547.95969   -547.95969 
Loop time of 14.4006 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.000 ns/day, 4.000 hours/ns, 69.442 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    | 14.176     | 14.176     | 14.176     |   0.0 | 98.44
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.043525   | 0.043525   | 0.043525   |   0.0 |  0.30
Output  | 6.3871e-05 | 6.3871e-05 | 6.3871e-05 |   0.0 |  0.00
Modify  | 0.15607    | 0.15607    | 0.15607    |   0.0 |  1.08
Other   |            | 0.02529    |            |       |  0.18

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343058.0 ave      343058 max      343058 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343058
Ave neighs/atom = 171.52900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.221078927418, Press = -0.784516013328868
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   25000   -7893.4574   -7893.4574   -7968.6366   -7968.6366    290.95147    290.95147    23136.429    23136.429   -547.95969   -547.95969 
   26000   -7892.1388   -7892.1388   -7968.4092   -7968.4092    295.17441    295.17441    23134.071    23134.071   -533.19617   -533.19617 
Loop time of 14.7867 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.843 ns/day, 4.107 hours/ns, 67.628 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.548     | 14.548     | 14.548     |   0.0 | 98.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.045783   | 0.045783   | 0.045783   |   0.0 |  0.31
Output  | 9.4219e-05 | 9.4219e-05 | 9.4219e-05 |   0.0 |  0.00
Modify  | 0.16582    | 0.16582    | 0.16582    |   0.0 |  1.12
Other   |            | 0.02668    |            |       |  0.18

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343098.0 ave      343098 max      343098 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343098
Ave neighs/atom = 171.54900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.255178756428, Press = -1.4025134113375
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   26000   -7892.1388   -7892.1388   -7968.4092   -7968.4092    295.17441    295.17441    23134.071    23134.071   -533.19617   -533.19617 
   27000   -7895.1154   -7895.1154   -7970.4623   -7970.4623    291.60035    291.60035    23141.526    23141.526   -1439.2727   -1439.2727 
Loop time of 14.8891 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.803 ns/day, 4.136 hours/ns, 67.163 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.648     | 14.648     | 14.648     |   0.0 | 98.38
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.046808   | 0.046808   | 0.046808   |   0.0 |  0.31
Output  | 9.0704e-05 | 9.0704e-05 | 9.0704e-05 |   0.0 |  0.00
Modify  | 0.16731    | 0.16731    | 0.16731    |   0.0 |  1.12
Other   |            | 0.02733    |            |       |  0.18

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343066.0 ave      343066 max      343066 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343066
Ave neighs/atom = 171.53300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.281227319276, Press = 1.23849143475927
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   27000   -7895.1154   -7895.1154   -7970.4623   -7970.4623    291.60035    291.60035    23141.526    23141.526   -1439.2727   -1439.2727 
   28000   -7891.5141   -7891.5141   -7968.3235   -7968.3235    297.26033    297.26033    23112.114    23112.114    1737.9086    1737.9086 
Loop time of 14.8127 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.833 ns/day, 4.115 hours/ns, 67.510 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    | 14.575     | 14.575     | 14.575     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.045802   | 0.045802   | 0.045802   |   0.0 |  0.31
Output  | 0.00010588 | 0.00010588 | 0.00010588 |   0.0 |  0.00
Modify  | 0.16582    | 0.16582    | 0.16582    |   0.0 |  1.12
Other   |            | 0.02546    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343058.0 ave      343058 max      343058 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343058
Ave neighs/atom = 171.52900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.303748141575, Press = 1.14726520865118
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   28000   -7891.5141   -7891.5141   -7968.3235   -7968.3235    297.26033    297.26033    23112.114    23112.114    1737.9086    1737.9086 
   29000    -7895.188    -7895.188   -7971.2484   -7971.2484    294.36198    294.36198    23103.219    23103.219    2975.7866    2975.7866 
Loop time of 14.1066 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.125 ns/day, 3.918 hours/ns, 70.889 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.893     | 13.893     | 13.893     |   0.0 | 98.48
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.042237   | 0.042237   | 0.042237   |   0.0 |  0.30
Output  | 9.0973e-05 | 9.0973e-05 | 9.0973e-05 |   0.0 |  0.00
Modify  | 0.14829    | 0.14829    | 0.14829    |   0.0 |  1.05
Other   |            | 0.02321    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343270.0 ave      343270 max      343270 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343270
Ave neighs/atom = 171.63500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.325065847564, Press = -0.086406481630584
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   29000    -7895.188    -7895.188   -7971.2484   -7971.2484    294.36198    294.36198    23103.219    23103.219    2975.7866    2975.7866 
   30000   -7888.2417   -7888.2417   -7966.1968   -7966.1968      301.694      301.694    23116.409    23116.409    954.84392    954.84392 
Loop time of 14.135 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.112 ns/day, 3.926 hours/ns, 70.746 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.922     | 13.922     | 13.922     |   0.0 | 98.49
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.042131   | 0.042131   | 0.042131   |   0.0 |  0.30
Output  | 0.00010576 | 0.00010576 | 0.00010576 |   0.0 |  0.00
Modify  | 0.14802    | 0.14802    | 0.14802    |   0.0 |  1.05
Other   |            | 0.0231     |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343390.0 ave      343390 max      343390 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343390
Ave neighs/atom = 171.69500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.406162332699, Press = 1.33362003146638
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   30000   -7888.2417   -7888.2417   -7966.1968   -7966.1968      301.694      301.694    23116.409    23116.409    954.84392    954.84392 
   31000   -7894.4008   -7894.4008   -7970.0414   -7970.0414      292.737      292.737    23138.531    23138.531   -1003.6161   -1003.6161 
Loop time of 14.1961 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.086 ns/day, 3.943 hours/ns, 70.442 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    | 13.981     | 13.981     | 13.981     |   0.0 | 98.48
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.042332   | 0.042332   | 0.042332   |   0.0 |  0.30
Output  | 9.1218e-05 | 9.1218e-05 | 9.1218e-05 |   0.0 |  0.00
Modify  | 0.14922    | 0.14922    | 0.14922    |   0.0 |  1.05
Other   |            | 0.02369    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343272.0 ave      343272 max      343272 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343272
Ave neighs/atom = 171.63600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.4998894658, Press = 0.569691900028879
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   31000   -7894.4008   -7894.4008   -7970.0414   -7970.0414      292.737      292.737    23138.531    23138.531   -1003.6161   -1003.6161 
   32000   -7895.2063   -7895.2063    -7970.425    -7970.425    291.10409    291.10409    23116.953    23116.953    850.46182    850.46182 
Loop time of 14.6061 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.915 ns/day, 4.057 hours/ns, 68.465 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.379     | 14.379     | 14.379     |   0.0 | 98.45
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.044374   | 0.044374   | 0.044374   |   0.0 |  0.30
Output  | 7.0642e-05 | 7.0642e-05 | 7.0642e-05 |   0.0 |  0.00
Modify  | 0.15713    | 0.15713    | 0.15713    |   0.0 |  1.08
Other   |            | 0.02546    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343096.0 ave      343096 max      343096 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343096
Ave neighs/atom = 171.54800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.571264030811, Press = 1.20056177120205
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   32000   -7895.2063   -7895.2063    -7970.425    -7970.425    291.10409    291.10409    23116.953    23116.953    850.46182    850.46182 
   33000    -7892.264    -7892.264   -7968.8155   -7968.8155    296.26217    296.26217    23145.523    23145.523   -973.11961   -973.11961 
Loop time of 14.206 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.082 ns/day, 3.946 hours/ns, 70.393 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.989     | 13.989     | 13.989     |   0.0 | 98.47
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.042496   | 0.042496   | 0.042496   |   0.0 |  0.30
Output  | 6.1956e-05 | 6.1956e-05 | 6.1956e-05 |   0.0 |  0.00
Modify  | 0.15074    | 0.15074    | 0.15074    |   0.0 |  1.06
Other   |            | 0.02376    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343196.0 ave      343196 max      343196 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343196
Ave neighs/atom = 171.59800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.546700046501, Press = -0.700427330318121
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   33000    -7892.264    -7892.264   -7968.8155   -7968.8155    296.26217    296.26217    23145.523    23145.523   -973.11961   -973.11961 
   34000    -7896.322    -7896.322   -7970.9937   -7970.9937    288.98704    288.98704    23094.336    23094.336    2205.9977    2205.9977 
Loop time of 15.1235 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.713 ns/day, 4.201 hours/ns, 66.122 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.871     | 14.871     | 14.871     |   0.0 | 98.33
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.049287   | 0.049287   | 0.049287   |   0.0 |  0.33
Output  | 0.00012062 | 0.00012062 | 0.00012062 |   0.0 |  0.00
Modify  | 0.17237    | 0.17237    | 0.17237    |   0.0 |  1.14
Other   |            | 0.03118    |            |       |  0.21

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      342986.0 ave      342986 max      342986 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 342986
Ave neighs/atom = 171.49300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.473316956672, Press = 2.96751089262211
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   34000    -7896.322    -7896.322   -7970.9937   -7970.9937    288.98704    288.98704    23094.336    23094.336    2205.9977    2205.9977 
   35000   -7894.5615   -7894.5615   -7970.9287   -7970.9287    295.54925    295.54925    23103.455    23103.455     1596.791     1596.791 
Loop time of 14.663 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.892 ns/day, 4.073 hours/ns, 68.199 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.429     | 14.429     | 14.429     |   0.0 | 98.41
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04473    | 0.04473    | 0.04473    |   0.0 |  0.31
Output  | 6.2524e-05 | 6.2524e-05 | 6.2524e-05 |   0.0 |  0.00
Modify  | 0.16346    | 0.16346    | 0.16346    |   0.0 |  1.11
Other   |            | 0.02535    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343386.0 ave      343386 max      343386 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343386
Ave neighs/atom = 171.69300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.511206813731, Press = -0.348310236209179
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   35000   -7894.5615   -7894.5615   -7970.9287   -7970.9287    295.54925    295.54925    23103.455    23103.455     1596.791     1596.791 
   36000   -7891.3852   -7891.3852   -7967.4786   -7967.4786    294.48925    294.48925    23105.427    23105.427    3224.9766    3224.9766 
Loop time of 13.9482 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.194 ns/day, 3.874 hours/ns, 71.694 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.738     | 13.738     | 13.738     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041634   | 0.041634   | 0.041634   |   0.0 |  0.30
Output  | 7.1578e-05 | 7.1578e-05 | 7.1578e-05 |   0.0 |  0.00
Modify  | 0.14574    | 0.14574    | 0.14574    |   0.0 |  1.04
Other   |            | 0.02239    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343304.0 ave      343304 max      343304 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343304
Ave neighs/atom = 171.65200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.468802207212, Press = 0.080546446072684
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   36000   -7891.3852   -7891.3852   -7967.4786   -7967.4786    294.48925    294.48925    23105.427    23105.427    3224.9766    3224.9766 
   37000   -7891.0456   -7891.0456   -7968.9312   -7968.9312     301.4256     301.4256    23127.738    23127.738   -76.294911   -76.294911 
Loop time of 13.8709 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.229 ns/day, 3.853 hours/ns, 72.093 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.664     | 13.664     | 13.664     |   0.0 | 98.51
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041004   | 0.041004   | 0.041004   |   0.0 |  0.30
Output  | 6.2299e-05 | 6.2299e-05 | 6.2299e-05 |   0.0 |  0.00
Modify  | 0.14382    | 0.14382    | 0.14382    |   0.0 |  1.04
Other   |            | 0.022      |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343474.0 ave      343474 max      343474 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343474
Ave neighs/atom = 171.73700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.470511450864, Press = 0.993735057863477
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   37000   -7891.0456   -7891.0456   -7968.9312   -7968.9312     301.4256     301.4256    23127.738    23127.738   -76.294911   -76.294911 
   38000   -7894.0772   -7894.0772   -7969.9808   -7969.9808    293.75454    293.75454    23136.071    23136.071   -211.14135   -211.14135 
Loop time of 13.9175 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.208 ns/day, 3.866 hours/ns, 71.852 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.709     | 13.709     | 13.709     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041416   | 0.041416   | 0.041416   |   0.0 |  0.30
Output  | 9.2637e-05 | 9.2637e-05 | 9.2637e-05 |   0.0 |  0.00
Modify  | 0.14444    | 0.14444    | 0.14444    |   0.0 |  1.04
Other   |            | 0.02225    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343260.0 ave      343260 max      343260 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343260
Ave neighs/atom = 171.63000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.460975808189, Press = 0.974752446061001
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   38000   -7894.0772   -7894.0772   -7969.9808   -7969.9808    293.75454    293.75454    23136.071    23136.071   -211.14135   -211.14135 
   39000   -7893.4656   -7893.4656   -7969.1021   -7969.1021    292.72092    292.72092    23130.512    23130.512   -506.42031   -506.42031 
Loop time of 13.9722 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.184 ns/day, 3.881 hours/ns, 71.571 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.761     | 13.761     | 13.761     |   0.0 | 98.49
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041568   | 0.041568   | 0.041568   |   0.0 |  0.30
Output  | 6.3057e-05 | 6.3057e-05 | 6.3057e-05 |   0.0 |  0.00
Modify  | 0.14665    | 0.14665    | 0.14665    |   0.0 |  1.05
Other   |            | 0.02261    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343118.0 ave      343118 max      343118 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343118
Ave neighs/atom = 171.55900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.401615009789, Press = -1.25677784164155
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   39000   -7893.4656   -7893.4656   -7969.1021   -7969.1021    292.72092    292.72092    23130.512    23130.512   -506.42031   -506.42031 
   40000   -7892.4848   -7892.4848   -7968.3534   -7968.3534    293.61961    293.61961    23126.921    23126.921   -188.55596   -188.55596 
Loop time of 13.9076 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.212 ns/day, 3.863 hours/ns, 71.903 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.7       | 13.7       | 13.7       |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041367   | 0.041367   | 0.041367   |   0.0 |  0.30
Output  | 6.221e-05  | 6.221e-05  | 6.221e-05  |   0.0 |  0.00
Modify  | 0.14452    | 0.14452    | 0.14452    |   0.0 |  1.04
Other   |            | 0.0221     |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343084.0 ave      343084 max      343084 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343084
Ave neighs/atom = 171.54200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.38607678149, Press = -1.53677521030315
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   40000   -7892.4848   -7892.4848   -7968.3534   -7968.3534    293.61961    293.61961    23126.921    23126.921   -188.55596   -188.55596 
   41000   -7888.3586   -7888.3586   -7967.5256   -7967.5256    306.38474    306.38474    23129.667    23129.667    371.59348    371.59348 
Loop time of 13.9255 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.204 ns/day, 3.868 hours/ns, 71.811 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.718     | 13.718     | 13.718     |   0.0 | 98.51
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041076   | 0.041076   | 0.041076   |   0.0 |  0.29
Output  | 6.2302e-05 | 6.2302e-05 | 6.2302e-05 |   0.0 |  0.00
Modify  | 0.14415    | 0.14415    | 0.14415    |   0.0 |  1.04
Other   |            | 0.02204    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343298.0 ave      343298 max      343298 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343298
Ave neighs/atom = 171.64900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.408229283472, Press = 0.546368529797538
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   41000   -7888.3586   -7888.3586   -7967.5256   -7967.5256    306.38474    306.38474    23129.667    23129.667    371.59348    371.59348 
   42000   -7893.7267   -7893.7267   -7970.1747   -7970.1747    295.86186    295.86186    23115.566    23115.566    1669.2492    1669.2492 
Loop time of 13.8985 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.216 ns/day, 3.861 hours/ns, 71.950 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.691     | 13.691     | 13.691     |   0.0 | 98.51
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041284   | 0.041284   | 0.041284   |   0.0 |  0.30
Output  | 6.0909e-05 | 6.0909e-05 | 6.0909e-05 |   0.0 |  0.00
Modify  | 0.14381    | 0.14381    | 0.14381    |   0.0 |  1.03
Other   |            | 0.02203    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343236.0 ave      343236 max      343236 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343236
Ave neighs/atom = 171.61800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.492330230544, Press = 0.622833767921327
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   42000   -7893.7267   -7893.7267   -7970.1747   -7970.1747    295.86186    295.86186    23115.566    23115.566    1669.2492    1669.2492 
   43000   -7890.7527   -7890.7527   -7968.0063   -7968.0063    298.97946    298.97946    23152.774    23152.774   -2278.4649   -2278.4649 
Loop time of 13.9528 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.192 ns/day, 3.876 hours/ns, 71.670 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.744     | 13.744     | 13.744     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041392   | 0.041392   | 0.041392   |   0.0 |  0.30
Output  | 6.1085e-05 | 6.1085e-05 | 6.1085e-05 |   0.0 |  0.00
Modify  | 0.14544    | 0.14544    | 0.14544    |   0.0 |  1.04
Other   |            | 0.02222    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343098.0 ave      343098 max      343098 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343098
Ave neighs/atom = 171.54900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.518438071819, Press = 0.416039047245707
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   43000   -7890.7527   -7890.7527   -7968.0063   -7968.0063    298.97946    298.97946    23152.774    23152.774   -2278.4649   -2278.4649 
   44000   -7894.5705   -7894.5705   -7966.8052   -7966.8052    279.55587    279.55587    23147.955    23147.955   -2365.2971   -2365.2971 
Loop time of 13.9069 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.213 ns/day, 3.863 hours/ns, 71.907 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.698     | 13.698     | 13.698     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041349   | 0.041349   | 0.041349   |   0.0 |  0.30
Output  | 6.1556e-05 | 6.1556e-05 | 6.1556e-05 |   0.0 |  0.00
Modify  | 0.14536    | 0.14536    | 0.14536    |   0.0 |  1.05
Other   |            | 0.0225     |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343106.0 ave      343106 max      343106 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343106
Ave neighs/atom = 171.55300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.560428086469, Press = 0.484869197101777
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   44000   -7894.5705   -7894.5705   -7966.8052   -7966.8052    279.55587    279.55587    23147.955    23147.955   -2365.2971   -2365.2971 
   45000   -7891.7612   -7891.7612   -7969.2077   -7969.2077    299.72624    299.72624    23116.062    23116.062    426.77949    426.77949 
Loop time of 13.8919 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.219 ns/day, 3.859 hours/ns, 71.985 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.684     | 13.684     | 13.684     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041165   | 0.041165   | 0.041165   |   0.0 |  0.30
Output  | 6.0575e-05 | 6.0575e-05 | 6.0575e-05 |   0.0 |  0.00
Modify  | 0.14473    | 0.14473    | 0.14473    |   0.0 |  1.04
Other   |            | 0.02235    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343138.0 ave      343138 max      343138 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343138
Ave neighs/atom = 171.56900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.54831319802, Press = -0.659928587277108
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   45000   -7891.7612   -7891.7612   -7969.2077   -7969.2077    299.72624    299.72624    23116.062    23116.062    426.77949    426.77949 
   46000   -7889.9503   -7889.9503   -7965.8826   -7965.8826    293.86606    293.86606    23158.046    23158.046   -3125.9152   -3125.9152 
Loop time of 13.8988 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.216 ns/day, 3.861 hours/ns, 71.949 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.692     | 13.692     | 13.692     |   0.0 | 98.51
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041154   | 0.041154   | 0.041154   |   0.0 |  0.30
Output  | 6.2663e-05 | 6.2663e-05 | 6.2663e-05 |   0.0 |  0.00
Modify  | 0.1438     | 0.1438     | 0.1438     |   0.0 |  1.03
Other   |            | 0.02195    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343268.0 ave      343268 max      343268 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343268
Ave neighs/atom = 171.63400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.545097409607, Press = 0.669622595620774
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   46000   -7889.9503   -7889.9503   -7965.8826   -7965.8826    293.86606    293.86606    23158.046    23158.046   -3125.9152   -3125.9152 
   47000   -7891.9227   -7891.9227   -7970.1338   -7970.1338    302.68482    302.68482    23100.599    23100.599    1164.2076    1164.2076 
Loop time of 13.916 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.209 ns/day, 3.866 hours/ns, 71.860 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.708     | 13.708     | 13.708     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041364   | 0.041364   | 0.041364   |   0.0 |  0.30
Output  | 8.8492e-05 | 8.8492e-05 | 8.8492e-05 |   0.0 |  0.00
Modify  | 0.14461    | 0.14461    | 0.14461    |   0.0 |  1.04
Other   |            | 0.02218    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343204.0 ave      343204 max      343204 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343204
Ave neighs/atom = 171.60200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.631957059149, Press = -0.31871138003807
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   47000   -7891.9227   -7891.9227   -7970.1338   -7970.1338    302.68482    302.68482    23100.599    23100.599    1164.2076    1164.2076 
   48000   -7892.4919   -7892.4919    -7968.901    -7968.901    295.71082    295.71082     23143.97     23143.97   -2675.6513   -2675.6513 
Loop time of 13.9119 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.211 ns/day, 3.864 hours/ns, 71.881 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.704     | 13.704     | 13.704     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041291   | 0.041291   | 0.041291   |   0.0 |  0.30
Output  | 6.2229e-05 | 6.2229e-05 | 6.2229e-05 |   0.0 |  0.00
Modify  | 0.14442    | 0.14442    | 0.14442    |   0.0 |  1.04
Other   |            | 0.02223    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343464.0 ave      343464 max      343464 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343464
Ave neighs/atom = 171.73200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.653109563932, Press = -1.23570414599241
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   48000   -7892.4919   -7892.4919    -7968.901    -7968.901    295.71082    295.71082     23143.97     23143.97   -2675.6513   -2675.6513 
   49000   -7891.1097   -7891.1097   -7966.8019   -7966.8019    292.93667    292.93667    23104.789    23104.789    1354.2784    1354.2784 
Loop time of 13.8975 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.217 ns/day, 3.860 hours/ns, 71.956 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.69      | 13.69      | 13.69      |   0.0 | 98.51
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041153   | 0.041153   | 0.041153   |   0.0 |  0.30
Output  | 6.3312e-05 | 6.3312e-05 | 6.3312e-05 |   0.0 |  0.00
Modify  | 0.14414    | 0.14414    | 0.14414    |   0.0 |  1.04
Other   |            | 0.02204    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343176.0 ave      343176 max      343176 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343176
Ave neighs/atom = 171.58800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.739860221822, Press = 1.2488743565941
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   49000   -7891.1097   -7891.1097   -7966.8019   -7966.8019    292.93667    292.93667    23104.789    23104.789    1354.2784    1354.2784 
   50000   -7892.5397   -7892.5397   -7967.5846   -7967.5846    290.43143    290.43143    23135.808    23135.808   -1187.7122   -1187.7122 
Loop time of 13.9652 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.187 ns/day, 3.879 hours/ns, 71.607 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.756     | 13.756     | 13.756     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041564   | 0.041564   | 0.041564   |   0.0 |  0.30
Output  | 5.6454e-05 | 5.6454e-05 | 5.6454e-05 |   0.0 |  0.00
Modify  | 0.14555    | 0.14555    | 0.14555    |   0.0 |  1.04
Other   |            | 0.02238    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343550.0 ave      343550 max      343550 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343550
Ave neighs/atom = 171.77500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.760529087999, Press = -0.520336970580995
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   50000   -7892.5397   -7892.5397   -7967.5846   -7967.5846    290.43143    290.43143    23135.808    23135.808   -1187.7122   -1187.7122 
   51000   -7887.8672   -7887.8672   -7965.4144   -7965.4144    300.11548    300.11548    23096.924    23096.924    3340.9985    3340.9985 
Loop time of 13.9056 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.213 ns/day, 3.863 hours/ns, 71.914 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.697     | 13.697     | 13.697     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041305   | 0.041305   | 0.041305   |   0.0 |  0.30
Output  | 6.3265e-05 | 6.3265e-05 | 6.3265e-05 |   0.0 |  0.00
Modify  | 0.14442    | 0.14442    | 0.14442    |   0.0 |  1.04
Other   |            | 0.02229    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343338.0 ave      343338 max      343338 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343338
Ave neighs/atom = 171.66900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.766093727732, Press = 0.546540176186575
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   51000   -7887.8672   -7887.8672   -7965.4144   -7965.4144    300.11548    300.11548    23096.924    23096.924    3340.9985    3340.9985 
   52000   -7894.1936   -7894.1936   -7969.6016   -7969.6016     291.8368     291.8368    23081.971    23081.971     3380.442     3380.442 
Loop time of 13.9282 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.203 ns/day, 3.869 hours/ns, 71.797 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.719     | 13.719     | 13.719     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041483   | 0.041483   | 0.041483   |   0.0 |  0.30
Output  | 6.1549e-05 | 6.1549e-05 | 6.1549e-05 |   0.0 |  0.00
Modify  | 0.14535    | 0.14535    | 0.14535    |   0.0 |  1.04
Other   |            | 0.02225    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343568.0 ave      343568 max      343568 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343568
Ave neighs/atom = 171.78400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.820979253211, Press = 1.74178406058121
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   52000   -7894.1936   -7894.1936   -7969.6016   -7969.6016     291.8368     291.8368    23081.971    23081.971     3380.442     3380.442 
   53000   -7891.1056   -7891.1056   -7967.5611   -7967.5611    295.89064    295.89064    23164.131    23164.131   -2960.0267   -2960.0267 
Loop time of 13.9008 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.215 ns/day, 3.861 hours/ns, 71.938 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.693     | 13.693     | 13.693     |   0.0 | 98.51
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041443   | 0.041443   | 0.041443   |   0.0 |  0.30
Output  | 6.1045e-05 | 6.1045e-05 | 6.1045e-05 |   0.0 |  0.00
Modify  | 0.14423    | 0.14423    | 0.14423    |   0.0 |  1.04
Other   |            | 0.02208    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343646.0 ave      343646 max      343646 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343646
Ave neighs/atom = 171.82300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.854474611739, Press = 0.256992762266102
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   53000   -7891.1056   -7891.1056   -7967.5611   -7967.5611    295.89064    295.89064    23164.131    23164.131   -2960.0267   -2960.0267 
   54000   -7896.0661   -7896.0661    -7971.153    -7971.153    290.59384    290.59384    23117.094    23117.094    1135.2078    1135.2078 
Loop time of 13.887 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.222 ns/day, 3.857 hours/ns, 72.010 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.68      | 13.68      | 13.68      |   0.0 | 98.51
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041209   | 0.041209   | 0.041209   |   0.0 |  0.30
Output  | 6.1205e-05 | 6.1205e-05 | 6.1205e-05 |   0.0 |  0.00
Modify  | 0.1438     | 0.1438     | 0.1438     |   0.0 |  1.04
Other   |            | 0.02193    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343062.0 ave      343062 max      343062 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343062
Ave neighs/atom = 171.53100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.85776121013, Press = -0.171359405816643
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   54000   -7896.0661   -7896.0661    -7971.153    -7971.153    290.59384    290.59384    23117.094    23117.094    1135.2078    1135.2078 
   55000   -7890.1182   -7890.1182   -7967.0781   -7967.0781    297.84275    297.84275    23135.151    23135.151   -344.77223   -344.77223 
Loop time of 13.9034 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.214 ns/day, 3.862 hours/ns, 71.925 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.695     | 13.695     | 13.695     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041123   | 0.041123   | 0.041123   |   0.0 |  0.30
Output  | 9.0404e-05 | 9.0404e-05 | 9.0404e-05 |   0.0 |  0.00
Modify  | 0.14463    | 0.14463    | 0.14463    |   0.0 |  1.04
Other   |            | 0.02221    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343272.0 ave      343272 max      343272 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343272
Ave neighs/atom = 171.63600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.840028825381, Press = 0.389815701099627
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   55000   -7890.1182   -7890.1182   -7967.0781   -7967.0781    297.84275    297.84275    23135.151    23135.151   -344.77223   -344.77223 
   56000   -7894.7491   -7894.7491   -7969.9758   -7969.9758    291.13488    291.13488    23121.545    23121.545    842.11332    842.11332 
Loop time of 13.9019 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.215 ns/day, 3.862 hours/ns, 71.933 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.695     | 13.695     | 13.695     |   0.0 | 98.51
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041018   | 0.041018   | 0.041018   |   0.0 |  0.30
Output  | 6.1084e-05 | 6.1084e-05 | 6.1084e-05 |   0.0 |  0.00
Modify  | 0.14405    | 0.14405    | 0.14405    |   0.0 |  1.04
Other   |            | 0.02211    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343150.0 ave      343150 max      343150 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343150
Ave neighs/atom = 171.57500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.880029870803, Press = 0.322001530248657
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   56000   -7894.7491   -7894.7491   -7969.9758   -7969.9758    291.13488    291.13488    23121.545    23121.545    842.11332    842.11332 
   57000   -7892.0136   -7892.0136   -7966.0033   -7966.0033    286.34754    286.34754    23126.728    23126.728   -66.187142   -66.187142 
Loop time of 13.9039 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.214 ns/day, 3.862 hours/ns, 71.923 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.696     | 13.696     | 13.696     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04131    | 0.04131    | 0.04131    |   0.0 |  0.30
Output  | 6.3905e-05 | 6.3905e-05 | 6.3905e-05 |   0.0 |  0.00
Modify  | 0.14444    | 0.14444    | 0.14444    |   0.0 |  1.04
Other   |            | 0.02226    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343104.0 ave      343104 max      343104 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343104
Ave neighs/atom = 171.55200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.910292580912, Press = -0.3064294711458
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   57000   -7892.0136   -7892.0136   -7966.0033   -7966.0033    286.34754    286.34754    23126.728    23126.728   -66.187142   -66.187142 
   58000   -7894.8087   -7894.8087   -7969.6387   -7969.6387    289.59994    289.59994    23141.429    23141.429    510.02912    510.02912 
Loop time of 13.878 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.226 ns/day, 3.855 hours/ns, 72.057 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.671     | 13.671     | 13.671     |   0.0 | 98.51
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041176   | 0.041176   | 0.041176   |   0.0 |  0.30
Output  | 6.2825e-05 | 6.2825e-05 | 6.2825e-05 |   0.0 |  0.00
Modify  | 0.14396    | 0.14396    | 0.14396    |   0.0 |  1.04
Other   |            | 0.02211    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343290.0 ave      343290 max      343290 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343290
Ave neighs/atom = 171.64500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.910681299871, Press = -0.632451808823158
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   58000   -7894.8087   -7894.8087   -7969.6387   -7969.6387    289.59994    289.59994    23141.429    23141.429    510.02912    510.02912 
   59000   -7892.3282   -7892.3282   -7967.9635   -7967.9635     292.7163     292.7163    23149.407    23149.407   -1540.4816   -1540.4816 
Loop time of 13.8955 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.218 ns/day, 3.860 hours/ns, 71.966 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.687     | 13.687     | 13.687     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041265   | 0.041265   | 0.041265   |   0.0 |  0.30
Output  | 6.0522e-05 | 6.0522e-05 | 6.0522e-05 |   0.0 |  0.00
Modify  | 0.14473    | 0.14473    | 0.14473    |   0.0 |  1.04
Other   |            | 0.02222    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343030.0 ave      343030 max      343030 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343030
Ave neighs/atom = 171.51500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.893647087144, Press = 0.386672371505814
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   59000   -7892.3282   -7892.3282   -7967.9635   -7967.9635     292.7163     292.7163    23149.407    23149.407   -1540.4816   -1540.4816 
   60000   -7894.5811   -7894.5811    -7968.147    -7968.147    284.70771    284.70771    23164.882    23164.882   -2506.9011   -2506.9011 
Loop time of 13.8851 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.223 ns/day, 3.857 hours/ns, 72.020 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.677     | 13.677     | 13.677     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041323   | 0.041323   | 0.041323   |   0.0 |  0.30
Output  | 6.1079e-05 | 6.1079e-05 | 6.1079e-05 |   0.0 |  0.00
Modify  | 0.14446    | 0.14446    | 0.14446    |   0.0 |  1.04
Other   |            | 0.0222     |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343090.0 ave      343090 max      343090 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343090
Ave neighs/atom = 171.54500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.908535612399, Press = 0.265728915018676
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   60000   -7894.5811   -7894.5811    -7968.147    -7968.147    284.70771    284.70771    23164.882    23164.882   -2506.9011   -2506.9011 
   61000   -7889.8639   -7889.8639   -7968.6344   -7968.6344     304.8498     304.8498     23124.89     23124.89    392.63388    392.63388 
Loop time of 14.0186 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.163 ns/day, 3.894 hours/ns, 71.334 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.806     | 13.806     | 13.806     |   0.0 | 98.49
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041879   | 0.041879   | 0.041879   |   0.0 |  0.30
Output  | 6.5647e-05 | 6.5647e-05 | 6.5647e-05 |   0.0 |  0.00
Modify  | 0.14759    | 0.14759    | 0.14759    |   0.0 |  1.05
Other   |            | 0.02263    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      342868.0 ave      342868 max      342868 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 342868
Ave neighs/atom = 171.43400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.906033276735, Press = -0.53136250872731
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   61000   -7889.8639   -7889.8639   -7968.6344   -7968.6344     304.8498     304.8498     23124.89     23124.89    392.63388    392.63388 
   62000   -7894.4152   -7894.4152   -7969.3089   -7969.3089     289.8466     289.8466    23134.986    23134.986   -278.16197   -278.16197 
Loop time of 14.182 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.092 ns/day, 3.939 hours/ns, 70.512 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    | 13.965     | 13.965     | 13.965     |   0.0 | 98.47
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.042431   | 0.042431   | 0.042431   |   0.0 |  0.30
Output  | 6.1175e-05 | 6.1175e-05 | 6.1175e-05 |   0.0 |  0.00
Modify  | 0.15126    | 0.15126    | 0.15126    |   0.0 |  1.07
Other   |            | 0.02312    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343318.0 ave      343318 max      343318 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343318
Ave neighs/atom = 171.65900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.896512755036, Press = 0.189595985771943
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   62000   -7894.4152   -7894.4152   -7969.3089   -7969.3089     289.8466     289.8466    23134.986    23134.986   -278.16197   -278.16197 
   63000   -7896.4374   -7896.4374   -7970.2401   -7970.2401    285.62398    285.62398     23155.25     23155.25    -3371.093    -3371.093 
Loop time of 13.922 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.206 ns/day, 3.867 hours/ns, 71.829 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.714     | 13.714     | 13.714     |   0.0 | 98.51
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041222   | 0.041222   | 0.041222   |   0.0 |  0.30
Output  | 6.2694e-05 | 6.2694e-05 | 6.2694e-05 |   0.0 |  0.00
Modify  | 0.14466    | 0.14466    | 0.14466    |   0.0 |  1.04
Other   |            | 0.02217    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343018.0 ave      343018 max      343018 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343018
Ave neighs/atom = 171.50900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.894424282749, Press = -0.15988224981045
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   63000   -7896.4374   -7896.4374   -7970.2401   -7970.2401    285.62398    285.62398     23155.25     23155.25    -3371.093    -3371.093 
   64000   -7892.5095   -7892.5095   -7968.9111   -7968.9111    295.68219    295.68219    23110.604    23110.604    1498.6561    1498.6561 
Loop time of 14.1412 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.110 ns/day, 3.928 hours/ns, 70.715 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.924     | 13.924     | 13.924     |   0.0 | 98.46
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.042591   | 0.042591   | 0.042591   |   0.0 |  0.30
Output  | 9.0953e-05 | 9.0953e-05 | 9.0953e-05 |   0.0 |  0.00
Modify  | 0.15119    | 0.15119    | 0.15119    |   0.0 |  1.07
Other   |            | 0.02348    |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343048.0 ave      343048 max      343048 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343048
Ave neighs/atom = 171.52400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.885701107385, Press = 0.867683925140198
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   64000   -7892.5095   -7892.5095   -7968.9111   -7968.9111    295.68219    295.68219    23110.604    23110.604    1498.6561    1498.6561 
   65000    -7893.416    -7893.416   -7968.4469   -7968.4469    290.37719    290.37719    23158.047    23158.047   -2055.2494   -2055.2494 
Loop time of 13.9127 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.210 ns/day, 3.865 hours/ns, 71.877 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.704     | 13.704     | 13.704     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041244   | 0.041244   | 0.041244   |   0.0 |  0.30
Output  | 6.235e-05  | 6.235e-05  | 6.235e-05  |   0.0 |  0.00
Modify  | 0.14533    | 0.14533    | 0.14533    |   0.0 |  1.04
Other   |            | 0.02236    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343454.0 ave      343454 max      343454 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343454
Ave neighs/atom = 171.72700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.897048164619, Press = -0.658236788359649
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   65000    -7893.416    -7893.416   -7968.4469   -7968.4469    290.37719    290.37719    23158.047    23158.047   -2055.2494   -2055.2494 
   66000   -7892.5386   -7892.5386   -7970.1565   -7970.1565    300.38915    300.38915    23086.799    23086.799    3286.1592    3286.1592 
Loop time of 13.8846 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.223 ns/day, 3.857 hours/ns, 72.022 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.677     | 13.677     | 13.677     |   0.0 | 98.51
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041115   | 0.041115   | 0.041115   |   0.0 |  0.30
Output  | 6.1484e-05 | 6.1484e-05 | 6.1484e-05 |   0.0 |  0.00
Modify  | 0.14425    | 0.14425    | 0.14425    |   0.0 |  1.04
Other   |            | 0.02211    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      342934.0 ave      342934 max      342934 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 342934
Ave neighs/atom = 171.46700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.91711728547, Press = -0.340918079610488
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   66000   -7892.5386   -7892.5386   -7970.1565   -7970.1565    300.38915    300.38915    23086.799    23086.799    3286.1592    3286.1592 
   67000   -7892.5235   -7892.5235   -7970.3423   -7970.3423    301.16669    301.16669    23129.125    23129.125   -367.48361   -367.48361 
Loop time of 14.0202 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.163 ns/day, 3.894 hours/ns, 71.326 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.808     | 13.808     | 13.808     |   0.0 | 98.48
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041937   | 0.041937   | 0.041937   |   0.0 |  0.30
Output  | 6.217e-05  | 6.217e-05  | 6.217e-05  |   0.0 |  0.00
Modify  | 0.14785    | 0.14785    | 0.14785    |   0.0 |  1.05
Other   |            | 0.02271    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343514.0 ave      343514 max      343514 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343514
Ave neighs/atom = 171.75700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.935392272718, Press = 0.152701020330591
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   67000   -7892.5235   -7892.5235   -7970.3423   -7970.3423    301.16669    301.16669    23129.125    23129.125   -367.48361   -367.48361 
   68000   -7893.1068   -7893.1068   -7967.0639   -7967.0639    286.22175    286.22175    23141.082    23141.082    -606.5415    -606.5415 
Loop time of 13.915 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.209 ns/day, 3.865 hours/ns, 71.865 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.706     | 13.706     | 13.706     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041348   | 0.041348   | 0.041348   |   0.0 |  0.30
Output  | 9.2185e-05 | 9.2185e-05 | 9.2185e-05 |   0.0 |  0.00
Modify  | 0.14498    | 0.14498    | 0.14498    |   0.0 |  1.04
Other   |            | 0.0225     |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343064.0 ave      343064 max      343064 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343064
Ave neighs/atom = 171.53200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.969372612719, Press = 0.878806517365915
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   68000   -7893.1068   -7893.1068   -7967.0639   -7967.0639    286.22175    286.22175    23141.082    23141.082    -606.5415    -606.5415 
   69000   -7894.0389   -7894.0389   -7968.8902   -7968.8902    289.68229    289.68229    23144.607    23144.607   -1992.2036   -1992.2036 
Loop time of 13.8987 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.216 ns/day, 3.861 hours/ns, 71.949 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.69      | 13.69      | 13.69      |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041216   | 0.041216   | 0.041216   |   0.0 |  0.30
Output  | 8.5087e-05 | 8.5087e-05 | 8.5087e-05 |   0.0 |  0.00
Modify  | 0.14482    | 0.14482    | 0.14482    |   0.0 |  1.04
Other   |            | 0.0222     |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343190.0 ave      343190 max      343190 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343190
Ave neighs/atom = 171.59500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.983019405965, Press = 1.17040472585767
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   69000   -7894.0389   -7894.0389   -7968.8902   -7968.8902    289.68229    289.68229    23144.607    23144.607   -1992.2036   -1992.2036 
   70000   -7893.3494   -7893.3494   -7968.7944   -7968.7944    291.98032    291.98032     23157.86     23157.86   -1930.3536   -1930.3536 
Loop time of 13.9132 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.210 ns/day, 3.865 hours/ns, 71.874 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.704     | 13.704     | 13.704     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041401   | 0.041401   | 0.041401   |   0.0 |  0.30
Output  | 8.7428e-05 | 8.7428e-05 | 8.7428e-05 |   0.0 |  0.00
Modify  | 0.14508    | 0.14508    | 0.14508    |   0.0 |  1.04
Other   |            | 0.02254    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343156.0 ave      343156 max      343156 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343156
Ave neighs/atom = 171.57800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.99116559131, Press = -0.527644750168923
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   70000   -7893.3494   -7893.3494   -7968.7944   -7968.7944    291.98032    291.98032     23157.86     23157.86   -1930.3536   -1930.3536 
   71000    -7894.426    -7894.426   -7969.7612   -7969.7612    291.55526    291.55526    23130.418    23130.418   -1793.2945   -1793.2945 
Loop time of 13.8761 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.227 ns/day, 3.854 hours/ns, 72.067 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.669     | 13.669     | 13.669     |   0.0 | 98.51
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041159   | 0.041159   | 0.041159   |   0.0 |  0.30
Output  | 8.5487e-05 | 8.5487e-05 | 8.5487e-05 |   0.0 |  0.00
Modify  | 0.14398    | 0.14398    | 0.14398    |   0.0 |  1.04
Other   |            | 0.02205    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343062.0 ave      343062 max      343062 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343062
Ave neighs/atom = 171.53100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.022034457467, Press = -0.564228457950743
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8
  ghost atom cutoff = 8
  binsize = 4, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   71000    -7894.426    -7894.426   -7969.7612   -7969.7612    291.55526    291.55526    23130.418    23130.418   -1793.2945   -1793.2945 
   72000   -7895.2822   -7895.2822    -7969.728    -7969.728    288.11283    288.11283    23124.723    23124.723    275.98481    275.98481 
Loop time of 13.8873 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.221 ns/day, 3.858 hours/ns, 72.008 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.679     | 13.679     | 13.679     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041381   | 0.041381   | 0.041381   |   0.0 |  0.30
Output  | 6.1315e-05 | 6.1315e-05 | 6.1315e-05 |   0.0 |  0.00
Modify  | 0.14453    | 0.14453    | 0.14453    |   0.0 |  1.04
Other   |            | 0.02221    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      343144.0 ave      343144 max      343144 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 343144
Ave neighs/atom = 171.57200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${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_T293.15.out"  else  "print 'not_converged'  file output/vol_T293.15.out"
print '${V}'  file output/vol_T293.15.out
23127.6517714607

print "LAMMPS calculation completed"
LAMMPS calculation completed
quit 0