# 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 2.8667457550764093*${_u_distance}
variable latticeconst_converted equal 2.8667457550764093*1
lattice       bcc  ${latticeconst_converted}
lattice       bcc  2.86674575507641
Lattice spacing in x,y,z = 2.8667458 2.8667458 2.8667458
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 (28.667458 28.667458 28.667458)
  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 (28.667458 28.667458 28.667458)
  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_ZhouFosterSills_2018_FeNiCr__MO_036303866285_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 23559.5794763511    
variable      V0_metal equal ${V0}/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 23559.5794763511/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 23559.5794763511/(1*${_u_distance}*${_u_distance})
variable      V0_metal equal 23559.5794763511/(1*1*${_u_distance})
variable      V0_metal equal 23559.5794763511/(1*1*1)
variable      V0_metal_times1000 equal ${V0_metal}*1000
variable      V0_metal_times1000 equal 23559.5794763511*1000

print "Initial system volume: ${V0_metal} Angstroms^3"
Initial system volume: 23559.5794763511 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_036303866285_000#item-citation

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8484.8877   -8484.8877    -8560.635    -8560.635       293.15       293.15    23559.579    23559.579    3434.1256    3434.1256 
    1000   -8408.2537   -8408.2537    -8480.829    -8480.829    280.87396    280.87396      23499.2      23499.2   -2184.8915   -2184.8915 
Loop time of 13.6714 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.320 ns/day, 3.798 hours/ns, 73.145 timesteps/s
97.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.43      | 13.43      | 13.43      |   0.0 | 98.24
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.046859   | 0.046859   | 0.046859   |   0.0 |  0.34
Output  | 0.00026195 | 0.00026195 | 0.00026195 |   0.0 |  0.00
Modify  | 0.16628    | 0.16628    | 0.16628    |   0.0 |  1.22
Other   |            | 0.02779    |            |       |  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:      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 = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8408.2537   -8408.2537    -8480.829    -8480.829    280.87396    280.87396      23499.2      23499.2   -2184.8915   -2184.8915 
    2000   -8406.3951   -8406.3951    -8483.519    -8483.519    298.47754    298.47754    23496.228    23496.228   -1160.4222   -1160.4222 
Loop time of 13.1125 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.589 ns/day, 3.642 hours/ns, 76.263 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.886     | 12.886     | 12.886     |   0.0 | 98.27
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.044993   | 0.044993   | 0.044993   |   0.0 |  0.34
Output  | 0.00012326 | 0.00012326 | 0.00012326 |   0.0 |  0.00
Modify  | 0.15618    | 0.15618    | 0.15618    |   0.0 |  1.19
Other   |            | 0.02504    |            |       |  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:      335980.0 ave      335980 max      335980 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335980
Ave neighs/atom = 167.99000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8406.3951   -8406.3951    -8483.519    -8483.519    298.47754    298.47754    23496.228    23496.228   -1160.4222   -1160.4222 
    3000   -8410.3935   -8410.3935   -8485.3118   -8485.3118    289.94146    289.94146    23496.259    23496.259   -1465.0715   -1465.0715 
Loop time of 13.044 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.624 ns/day, 3.623 hours/ns, 76.664 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.82      | 12.82      | 12.82      |   0.0 | 98.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.044476   | 0.044476   | 0.044476   |   0.0 |  0.34
Output  | 0.00011902 | 0.00011902 | 0.00011902 |   0.0 |  0.00
Modify  | 0.15431    | 0.15431    | 0.15431    |   0.0 |  1.18
Other   |            | 0.02459    |            |       |  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:      335994.0 ave      335994 max      335994 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335994
Ave neighs/atom = 167.99700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8410.3935   -8410.3935   -8485.3118   -8485.3118    289.94146    289.94146    23496.259    23496.259   -1465.0715   -1465.0715 
    4000   -8405.6037   -8405.6037   -8484.6288   -8484.6288    305.83534    305.83534    23476.327    23476.327    614.80945    614.80945 
Loop time of 12.9201 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.687 ns/day, 3.589 hours/ns, 77.399 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.702     | 12.702     | 12.702     |   0.0 | 98.31
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.043662   | 0.043662   | 0.043662   |   0.0 |  0.34
Output  | 0.00012015 | 0.00012015 | 0.00012015 |   0.0 |  0.00
Modify  | 0.15125    | 0.15125    | 0.15125    |   0.0 |  1.17
Other   |            | 0.0235     |            |       |  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:      335990.0 ave      335990 max      335990 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335990
Ave neighs/atom = 167.99500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8405.6037   -8405.6037   -8484.6288   -8484.6288    305.83534    305.83534    23476.327    23476.327    614.80945    614.80945 
    5000   -8410.3072   -8410.3072   -8484.0992   -8484.0992     285.5826     285.5826    23500.992    23500.992    -2467.329    -2467.329 
Loop time of 12.8623 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.717 ns/day, 3.573 hours/ns, 77.747 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.645     | 12.645     | 12.645     |   0.0 | 98.31
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.043246   | 0.043246   | 0.043246   |   0.0 |  0.34
Output  | 9.0901e-05 | 9.0901e-05 | 9.0901e-05 |   0.0 |  0.00
Modify  | 0.15073    | 0.15073    | 0.15073    |   0.0 |  1.17
Other   |            | 0.02305    |            |       |  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:      335996.0 ave      335996 max      335996 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335996
Ave neighs/atom = 167.99800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 290.014866046521, Press = 4.11151676372001
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8410.3072   -8410.3072   -8484.0992   -8484.0992     285.5826     285.5826    23500.992    23500.992    -2467.329    -2467.329 
    6000   -8409.0119   -8409.0119   -8483.5582   -8483.5582    288.50194    288.50194    23509.885    23509.885   -2464.1042   -2464.1042 
Loop time of 12.9472 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.673 ns/day, 3.596 hours/ns, 77.236 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.726     | 12.726     | 12.726     |   0.0 | 98.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.043029   | 0.043029   | 0.043029   |   0.0 |  0.33
Output  | 6.3981e-05 | 6.3981e-05 | 6.3981e-05 |   0.0 |  0.00
Modify  | 0.15549    | 0.15549    | 0.15549    |   0.0 |  1.20
Other   |            | 0.02295    |            |       |  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:      335986.0 ave      335986 max      335986 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335986
Ave neighs/atom = 167.99300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.512338756072, Press = 0.214841192980631
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8409.0119   -8409.0119   -8483.5582   -8483.5582    288.50194    288.50194    23509.885    23509.885   -2464.1042   -2464.1042 
    7000   -8408.1092   -8408.1092   -8482.0945   -8482.0945     286.3307     286.3307    23501.056    23501.056   -1535.5393   -1535.5393 
Loop time of 12.9056 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.695 ns/day, 3.585 hours/ns, 77.486 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.683     | 12.683     | 12.683     |   0.0 | 98.28
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.043005   | 0.043005   | 0.043005   |   0.0 |  0.33
Output  | 8.9221e-05 | 8.9221e-05 | 8.9221e-05 |   0.0 |  0.00
Modify  | 0.15606    | 0.15606    | 0.15606    |   0.0 |  1.21
Other   |            | 0.02306    |            |       |  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:      335988.0 ave      335988 max      335988 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335988
Ave neighs/atom = 167.99400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 291.342504719781, Press = 35.9126654247963
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8408.1092   -8408.1092   -8482.0945   -8482.0945     286.3307     286.3307    23501.056    23501.056   -1535.5393   -1535.5393 
    8000   -8411.7177   -8411.7177   -8486.7675   -8486.7675    290.45047    290.45047    23462.765    23462.765     1868.393     1868.393 
Loop time of 13.0336 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.629 ns/day, 3.620 hours/ns, 76.725 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.805     | 12.805     | 12.805     |   0.0 | 98.25
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.044308   | 0.044308   | 0.044308   |   0.0 |  0.34
Output  | 6.5429e-05 | 6.5429e-05 | 6.5429e-05 |   0.0 |  0.00
Modify  | 0.15946    | 0.15946    | 0.15946    |   0.0 |  1.22
Other   |            | 0.02468    |            |       |  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:      335986.0 ave      335986 max      335986 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335986
Ave neighs/atom = 167.99300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 291.474650302022, Press = 18.1656124966117
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8411.7177   -8411.7177   -8486.7675   -8486.7675    290.45047    290.45047    23462.765    23462.765     1868.393     1868.393 
    9000   -8406.6409   -8406.6409   -8482.5446   -8482.5446    293.75541    293.75541    23507.993    23507.993   -3316.6012   -3316.6012 
Loop time of 12.9089 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.693 ns/day, 3.586 hours/ns, 77.466 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.686     | 12.686     | 12.686     |   0.0 | 98.27
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.043262   | 0.043262   | 0.043262   |   0.0 |  0.34
Output  | 6.0705e-05 | 6.0705e-05 | 6.0705e-05 |   0.0 |  0.00
Modify  | 0.15628    | 0.15628    | 0.15628    |   0.0 |  1.21
Other   |            | 0.02352    |            |       |  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:      335994.0 ave      335994 max      335994 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335994
Ave neighs/atom = 167.99700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 291.519238506259, Press = 16.8257551966829
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8406.6409   -8406.6409   -8482.5446   -8482.5446    293.75541    293.75541    23507.993    23507.993   -3316.6012   -3316.6012 
   10000   -8407.7382   -8407.7382   -8481.8503   -8481.8503    286.82135    286.82135    23527.576    23527.576   -5264.1054   -5264.1054 
Loop time of 12.9003 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.698 ns/day, 3.583 hours/ns, 77.518 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.68      | 12.68      | 12.68      |   0.0 | 98.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.042787   | 0.042787   | 0.042787   |   0.0 |  0.33
Output  | 8.7641e-05 | 8.7641e-05 | 8.7641e-05 |   0.0 |  0.00
Modify  | 0.15408    | 0.15408    | 0.15408    |   0.0 |  1.19
Other   |            | 0.02316    |            |       |  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:      335984.0 ave      335984 max      335984 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335984
Ave neighs/atom = 167.99200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 291.833198307646, Press = 12.936408356367
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8407.7382   -8407.7382   -8481.8503   -8481.8503    286.82135    286.82135    23527.576    23527.576   -5264.1054   -5264.1054 
   11000   -8408.5777   -8408.5777   -8484.6246   -8484.6246    294.30943    294.30943    23489.188    23489.188   -1346.6567   -1346.6567 
Loop time of 12.8457 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.726 ns/day, 3.568 hours/ns, 77.847 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.626     | 12.626     | 12.626     |   0.0 | 98.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.042664   | 0.042664   | 0.042664   |   0.0 |  0.33
Output  | 5.9584e-05 | 5.9584e-05 | 5.9584e-05 |   0.0 |  0.00
Modify  | 0.15383    | 0.15383    | 0.15383    |   0.0 |  1.20
Other   |            | 0.02273    |            |       |  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:      335982.0 ave      335982 max      335982 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335982
Ave neighs/atom = 167.99100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 291.927713275944, Press = 3.20159739921723
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8408.5777   -8408.5777   -8484.6246   -8484.6246    294.30943    294.30943    23489.188    23489.188   -1346.6567   -1346.6567 
   12000   -8409.8218   -8409.8218     -8483.87     -8483.87    286.57426    286.57426    23502.563    23502.563   -2768.9618   -2768.9618 
Loop time of 12.9146 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.690 ns/day, 3.587 hours/ns, 77.432 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.692     | 12.692     | 12.692     |   0.0 | 98.28
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.043112   | 0.043112   | 0.043112   |   0.0 |  0.33
Output  | 6.4019e-05 | 6.4019e-05 | 6.4019e-05 |   0.0 |  0.00
Modify  | 0.156      | 0.156      | 0.156      |   0.0 |  1.21
Other   |            | 0.02309    |            |       |  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:      335990.0 ave      335990 max      335990 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335990
Ave neighs/atom = 167.99500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 291.62348230293, Press = 7.17862889130077
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8409.8218   -8409.8218     -8483.87     -8483.87    286.57426    286.57426    23502.563    23502.563   -2768.9618   -2768.9618 
   13000   -8409.3168   -8409.3168   -8484.4551   -8484.4551     290.7931     290.7931    23485.882    23485.882   -1044.9309   -1044.9309 
Loop time of 12.8282 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.735 ns/day, 3.563 hours/ns, 77.953 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.609     | 12.609     | 12.609     |   0.0 | 98.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.042688   | 0.042688   | 0.042688   |   0.0 |  0.33
Output  | 6.4498e-05 | 6.4498e-05 | 6.4498e-05 |   0.0 |  0.00
Modify  | 0.15348    | 0.15348    | 0.15348    |   0.0 |  1.20
Other   |            | 0.02253    |            |       |  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:      335986.0 ave      335986 max      335986 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335986
Ave neighs/atom = 167.99300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 291.807241159027, Press = 9.7642712446317
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8409.3168   -8409.3168   -8484.4551   -8484.4551     290.7931     290.7931    23485.882    23485.882   -1044.9309   -1044.9309 
   14000   -8406.9493   -8406.9493   -8483.0822   -8483.0822    294.64205    294.64205    23436.262    23436.262    4449.5698    4449.5698 
Loop time of 13.0496 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.621 ns/day, 3.625 hours/ns, 76.631 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.824     | 12.824     | 12.824     |   0.0 | 98.27
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.043837   | 0.043837   | 0.043837   |   0.0 |  0.34
Output  | 9.4286e-05 | 9.4286e-05 | 9.4286e-05 |   0.0 |  0.00
Modify  | 0.15815    | 0.15815    | 0.15815    |   0.0 |  1.21
Other   |            | 0.02382    |            |       |  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:      335994.0 ave      335994 max      335994 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335994
Ave neighs/atom = 167.99700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 291.751830098979, Press = 6.35623666142701
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8406.9493   -8406.9493   -8483.0822   -8483.0822    294.64205    294.64205    23436.262    23436.262    4449.5698    4449.5698 
   15000   -8409.4334   -8409.4334   -8485.7354   -8485.7354    295.29632    295.29632      23464.1      23464.1    1830.8856    1830.8856 
Loop time of 12.941 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.676 ns/day, 3.595 hours/ns, 77.274 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.718     | 12.718     | 12.718     |   0.0 | 98.28
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.043478   | 0.043478   | 0.043478   |   0.0 |  0.34
Output  | 6.0258e-05 | 6.0258e-05 | 6.0258e-05 |   0.0 |  0.00
Modify  | 0.1565     | 0.1565     | 0.1565     |   0.0 |  1.21
Other   |            | 0.02306    |            |       |  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:      335988.0 ave      335988 max      335988 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335988
Ave neighs/atom = 167.99400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 291.757273905627, Press = 3.74563811136173
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8409.4334   -8409.4334   -8485.7354   -8485.7354    295.29632    295.29632      23464.1      23464.1    1830.8856    1830.8856 
   16000   -8405.9949   -8405.9949   -8480.8488   -8480.8488    289.69225    289.69225    23453.495    23453.495    2433.0555    2433.0555 
Loop time of 13.0813 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.605 ns/day, 3.634 hours/ns, 76.445 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.856     | 12.856     | 12.856     |   0.0 | 98.27
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.043676   | 0.043676   | 0.043676   |   0.0 |  0.33
Output  | 6.2028e-05 | 6.2028e-05 | 6.2028e-05 |   0.0 |  0.00
Modify  | 0.15873    | 0.15873    | 0.15873    |   0.0 |  1.21
Other   |            | 0.02327    |            |       |  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:      335988.0 ave      335988 max      335988 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335988
Ave neighs/atom = 167.99400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 291.923687035223, Press = 2.8859950199075
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8405.9949   -8405.9949   -8480.8488   -8480.8488    289.69225    289.69225    23453.495    23453.495    2433.0555    2433.0555 
   17000   -8409.2555   -8409.2555   -8484.3719   -8484.3719    290.70819    290.70819    23462.934    23462.934     974.7926     974.7926 
Loop time of 12.9969 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.648 ns/day, 3.610 hours/ns, 76.941 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.772     | 12.772     | 12.772     |   0.0 | 98.27
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.043407   | 0.043407   | 0.043407   |   0.0 |  0.33
Output  | 6.1073e-05 | 6.1073e-05 | 6.1073e-05 |   0.0 |  0.00
Modify  | 0.15802    | 0.15802    | 0.15802    |   0.0 |  1.22
Other   |            | 0.02327    |            |       |  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:      335986.0 ave      335986 max      335986 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335986
Ave neighs/atom = 167.99300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.106302196701, Press = 3.95994673672497
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8409.2555   -8409.2555   -8484.3719   -8484.3719    290.70819    290.70819    23462.934    23462.934     974.7926     974.7926 
   18000   -8407.3007   -8407.3007   -8481.2483   -8481.2483    286.18515    286.18515    23486.837    23486.837   -631.41093   -631.41093 
Loop time of 13.1265 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.582 ns/day, 3.646 hours/ns, 76.182 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.897     | 12.897     | 12.897     |   0.0 | 98.25
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.044395   | 0.044395   | 0.044395   |   0.0 |  0.34
Output  | 6.24e-05   | 6.24e-05   | 6.24e-05   |   0.0 |  0.00
Modify  | 0.16059    | 0.16059    | 0.16059    |   0.0 |  1.22
Other   |            | 0.02418    |            |       |  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:      335992.0 ave      335992 max      335992 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335992
Ave neighs/atom = 167.99600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.38495977117, Press = 0.101415077071429
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8407.3007   -8407.3007   -8481.2483   -8481.2483    286.18515    286.18515    23486.837    23486.837   -631.41093   -631.41093 
   19000      -8406.4      -8406.4   -8482.4798   -8482.4798    294.43653    294.43653    23476.639    23476.639   -2.5523991   -2.5523991 
Loop time of 12.8601 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.718 ns/day, 3.572 hours/ns, 77.760 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.639     | 12.639     | 12.639     |   0.0 | 98.28
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.042891   | 0.042891   | 0.042891   |   0.0 |  0.33
Output  | 8.9265e-05 | 8.9265e-05 | 8.9265e-05 |   0.0 |  0.00
Modify  | 0.15493    | 0.15493    | 0.15493    |   0.0 |  1.20
Other   |            | 0.0234     |            |       |  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:      335980.0 ave      335980 max      335980 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335980
Ave neighs/atom = 167.99000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.535769395384, Press = 1.44521372975779
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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      -8406.4      -8406.4   -8482.4798   -8482.4798    294.43653    294.43653    23476.639    23476.639   -2.5523991   -2.5523991 
   20000   -8409.7712   -8409.7712   -8485.8018   -8485.8018    294.24624    294.24624    23480.849    23480.849   -149.84565   -149.84565 
Loop time of 12.9592 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.667 ns/day, 3.600 hours/ns, 77.166 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.735     | 12.735     | 12.735     |   0.0 | 98.27
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.043225   | 0.043225   | 0.043225   |   0.0 |  0.33
Output  | 6.3053e-05 | 6.3053e-05 | 6.3053e-05 |   0.0 |  0.00
Modify  | 0.15744    | 0.15744    | 0.15744    |   0.0 |  1.21
Other   |            | 0.02331    |            |       |  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:      335988.0 ave      335988 max      335988 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335988
Ave neighs/atom = 167.99400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.584631910716, Press = 4.35339091427392
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8409.7712   -8409.7712   -8485.8018   -8485.8018    294.24624    294.24624    23480.849    23480.849   -149.84565   -149.84565 
   21000   -8408.9522   -8408.9522   -8484.4093   -8484.4093    292.02655    292.02655    23476.353    23476.353   -178.40552   -178.40552 
Loop time of 13.0822 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.604 ns/day, 3.634 hours/ns, 76.440 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.857     | 12.857     | 12.857     |   0.0 | 98.28
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.043571   | 0.043571   | 0.043571   |   0.0 |  0.33
Output  | 5.9366e-05 | 5.9366e-05 | 5.9366e-05 |   0.0 |  0.00
Modify  | 0.15857    | 0.15857    | 0.15857    |   0.0 |  1.21
Other   |            | 0.02331    |            |       |  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:      335990.0 ave      335990 max      335990 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335990
Ave neighs/atom = 167.99500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.55303814306, Press = 6.28432676924762
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8408.9522   -8408.9522   -8484.4093   -8484.4093    292.02655    292.02655    23476.353    23476.353   -178.40552   -178.40552 
   22000   -8406.5348   -8406.5348   -8482.8841   -8482.8841    295.47961    295.47961    23480.315    23480.315    322.71047    322.71047 
Loop time of 13.1518 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.569 ns/day, 3.653 hours/ns, 76.035 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.921     | 12.921     | 12.921     |   0.0 | 98.25
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04446    | 0.04446    | 0.04446    |   0.0 |  0.34
Output  | 6.2871e-05 | 6.2871e-05 | 6.2871e-05 |   0.0 |  0.00
Modify  | 0.16163    | 0.16163    | 0.16163    |   0.0 |  1.23
Other   |            | 0.02416    |            |       |  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:      335978.0 ave      335978 max      335978 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335978
Ave neighs/atom = 167.98900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.43198639935, Press = 3.94881572163876
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8406.5348   -8406.5348   -8482.8841   -8482.8841    295.47961    295.47961    23480.315    23480.315    322.71047    322.71047 
   23000   -8408.7951   -8408.7951   -8484.5667   -8484.5667    293.24388    293.24388    23486.076    23486.076    -1095.287    -1095.287 
Loop time of 12.8846 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.706 ns/day, 3.579 hours/ns, 77.612 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.664     | 12.664     | 12.664     |   0.0 | 98.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.042822   | 0.042822   | 0.042822   |   0.0 |  0.33
Output  | 6.0318e-05 | 6.0318e-05 | 6.0318e-05 |   0.0 |  0.00
Modify  | 0.15482    | 0.15482    | 0.15482    |   0.0 |  1.20
Other   |            | 0.02268    |            |       |  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:      335996.0 ave      335996 max      335996 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335996
Ave neighs/atom = 167.99800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.455263718343, Press = 3.23183860009057
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8408.7951   -8408.7951   -8484.5667   -8484.5667    293.24388    293.24388    23486.076    23486.076    -1095.287    -1095.287 
   24000   -8407.8617   -8407.8617   -8484.2659   -8484.2659    295.69242    295.69242    23493.931    23493.931   -1419.3336   -1419.3336 
Loop time of 13.3049 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.494 ns/day, 3.696 hours/ns, 75.160 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    | 13.074     | 13.074     | 13.074     |   0.0 | 98.26
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.044453   | 0.044453   | 0.044453   |   0.0 |  0.33
Output  | 0.00010157 | 0.00010157 | 0.00010157 |   0.0 |  0.00
Modify  | 0.16235    | 0.16235    | 0.16235    |   0.0 |  1.22
Other   |            | 0.02397    |            |       |  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:      335984.0 ave      335984 max      335984 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335984
Ave neighs/atom = 167.99200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.45006901195, Press = 2.79174025408885
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8407.8617   -8407.8617   -8484.2659   -8484.2659    295.69242    295.69242    23493.931    23493.931   -1419.3336   -1419.3336 
   25000   -8409.4324   -8409.4324   -8484.4229   -8484.4229    290.22099    290.22099    23472.425    23472.425    249.12632    249.12632 
Loop time of 12.9528 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.670 ns/day, 3.598 hours/ns, 77.203 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    | 12.732     | 12.732     | 12.732     |   0.0 | 98.30
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.042294   | 0.042294   | 0.042294   |   0.0 |  0.33
Output  | 0.00051052 | 0.00051052 | 0.00051052 |   0.0 |  0.00
Modify  | 0.15421    | 0.15421    | 0.15421    |   0.0 |  1.19
Other   |            | 0.02339    |            |       |  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:      335990.0 ave      335990 max      335990 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335990
Ave neighs/atom = 167.99500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.559875059489, Press = 6.8297930491248
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8409.4324   -8409.4324   -8484.4229   -8484.4229    290.22099    290.22099    23472.425    23472.425    249.12632    249.12632 
   26000   -8410.1168   -8410.1168    -8484.768    -8484.768    288.90778    288.90778    23444.159    23444.159    3196.2631    3196.2631 
Loop time of 12.7142 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.796 ns/day, 3.532 hours/ns, 78.652 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.503     | 12.503     | 12.503     |   0.0 | 98.34
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040949   | 0.040949   | 0.040949   |   0.0 |  0.32
Output  | 8.9326e-05 | 8.9326e-05 | 8.9326e-05 |   0.0 |  0.00
Modify  | 0.14821    | 0.14821    | 0.14821    |   0.0 |  1.17
Other   |            | 0.02152    |            |       |  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:      335988.0 ave      335988 max      335988 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335988
Ave neighs/atom = 167.99400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.610238960275, Press = 5.67724500411447
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8410.1168   -8410.1168    -8484.768    -8484.768    288.90778    288.90778    23444.159    23444.159    3196.2631    3196.2631 
   27000   -8406.0381   -8406.0381   -8480.9505   -8480.9505    289.91881    289.91881    23458.758    23458.758    1554.2689    1554.2689 
Loop time of 12.65 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.830 ns/day, 3.514 hours/ns, 79.051 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.439     | 12.439     | 12.439     |   0.0 | 98.33
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041136   | 0.041136   | 0.041136   |   0.0 |  0.33
Output  | 8.7771e-05 | 8.7771e-05 | 8.7771e-05 |   0.0 |  0.00
Modify  | 0.14814    | 0.14814    | 0.14814    |   0.0 |  1.17
Other   |            | 0.02166    |            |       |  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:      335988.0 ave      335988 max      335988 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335988
Ave neighs/atom = 167.99400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.616847758817, Press = 1.74861221730318
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8406.0381   -8406.0381   -8480.9505   -8480.9505    289.91881    289.91881    23458.758    23458.758    1554.2689    1554.2689 
   28000   -8406.0516   -8406.0516   -8481.4534   -8481.4534    291.81267    291.81267    23459.601    23459.601    1326.0456    1326.0456 
Loop time of 12.566 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.876 ns/day, 3.491 hours/ns, 79.580 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.359     | 12.359     | 12.359     |   0.0 | 98.35
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040502   | 0.040502   | 0.040502   |   0.0 |  0.32
Output  | 8.8123e-05 | 8.8123e-05 | 8.8123e-05 |   0.0 |  0.00
Modify  | 0.14535    | 0.14535    | 0.14535    |   0.0 |  1.16
Other   |            | 0.02117    |            |       |  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:      335980.0 ave      335980 max      335980 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335980
Ave neighs/atom = 167.99000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.643025280233, Press = 2.88900188472914
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8406.0516   -8406.0516   -8481.4534   -8481.4534    291.81267    291.81267    23459.601    23459.601    1326.0456    1326.0456 
   29000   -8408.2425   -8408.2425   -8484.3034   -8484.3034    294.36371    294.36371    23480.494    23480.494   -548.71554   -548.71554 
Loop time of 12.6795 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.814 ns/day, 3.522 hours/ns, 78.868 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.47      | 12.47      | 12.47      |   0.0 | 98.35
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040875   | 0.040875   | 0.040875   |   0.0 |  0.32
Output  | 5.9707e-05 | 5.9707e-05 | 5.9707e-05 |   0.0 |  0.00
Modify  | 0.14711    | 0.14711    | 0.14711    |   0.0 |  1.16
Other   |            | 0.02136    |            |       |  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:      335984.0 ave      335984 max      335984 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335984
Ave neighs/atom = 167.99200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.792590048419, Press = 3.03193459430125
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8408.2425   -8408.2425   -8484.3034   -8484.3034    294.36371    294.36371    23480.494    23480.494   -548.71554   -548.71554 
   30000   -8407.2471   -8407.2471   -8483.1189   -8483.1189    293.63158    293.63158    23479.359    23479.359   -93.265377   -93.265377 
Loop time of 12.5753 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.871 ns/day, 3.493 hours/ns, 79.521 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.368     | 12.368     | 12.368     |   0.0 | 98.35
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04052    | 0.04052    | 0.04052    |   0.0 |  0.32
Output  | 9.3748e-05 | 9.3748e-05 | 9.3748e-05 |   0.0 |  0.00
Modify  | 0.14574    | 0.14574    | 0.14574    |   0.0 |  1.16
Other   |            | 0.02108    |            |       |  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:      335996.0 ave      335996 max      335996 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335996
Ave neighs/atom = 167.99800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.794675152989, Press = 6.43717315876361
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8407.2471   -8407.2471   -8483.1189   -8483.1189    293.63158    293.63158    23479.359    23479.359   -93.265377   -93.265377 
   31000   -8407.6226   -8407.6226     -8481.71     -8481.71    286.72598    286.72598    23477.888    23477.888     43.75918     43.75918 
Loop time of 12.5253 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.898 ns/day, 3.479 hours/ns, 79.838 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.32      | 12.32      | 12.32      |   0.0 | 98.36
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040235   | 0.040235   | 0.040235   |   0.0 |  0.32
Output  | 6.0008e-05 | 6.0008e-05 | 6.0008e-05 |   0.0 |  0.00
Modify  | 0.14417    | 0.14417    | 0.14417    |   0.0 |  1.15
Other   |            | 0.02084    |            |       |  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:      335992.0 ave      335992 max      335992 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335992
Ave neighs/atom = 167.99600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.765493533746, Press = 3.73652239661441
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8407.6226   -8407.6226     -8481.71     -8481.71    286.72598    286.72598    23477.888    23477.888     43.75918     43.75918 
   32000   -8405.8631   -8405.8631   -8482.3686   -8482.3686    296.08408    296.08408    23455.787    23455.787    2378.8282    2378.8282 
Loop time of 12.5562 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.881 ns/day, 3.488 hours/ns, 79.642 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.35      | 12.35      | 12.35      |   0.0 | 98.35
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040371   | 0.040371   | 0.040371   |   0.0 |  0.32
Output  | 0.00010195 | 0.00010195 | 0.00010195 |   0.0 |  0.00
Modify  | 0.14513    | 0.14513    | 0.14513    |   0.0 |  1.16
Other   |            | 0.02105    |            |       |  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:      335984.0 ave      335984 max      335984 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335984
Ave neighs/atom = 167.99200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.71463766871, Press = 1.47279046461129
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8405.8631   -8405.8631   -8482.3686   -8482.3686    296.08408    296.08408    23455.787    23455.787    2378.8282    2378.8282 
   33000   -8410.3347   -8410.3347   -8484.8414   -8484.8414    288.34851    288.34851    23462.562    23462.562    1870.1533    1870.1533 
Loop time of 12.5224 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.900 ns/day, 3.478 hours/ns, 79.857 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.317     | 12.317     | 12.317     |   0.0 | 98.36
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040282   | 0.040282   | 0.040282   |   0.0 |  0.32
Output  | 5.9921e-05 | 5.9921e-05 | 5.9921e-05 |   0.0 |  0.00
Modify  | 0.14367    | 0.14367    | 0.14367    |   0.0 |  1.15
Other   |            | 0.0209     |            |       |  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:      335992.0 ave      335992 max      335992 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335992
Ave neighs/atom = 167.99600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.715872411373, Press = 1.74002918639348
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8410.3347   -8410.3347   -8484.8414   -8484.8414    288.34851    288.34851    23462.562    23462.562    1870.1533    1870.1533 
   34000   -8407.2818   -8407.2818   -8482.4691   -8482.4691    290.98252    290.98252    23477.762    23477.762    193.81403    193.81403 
Loop time of 12.6458 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.832 ns/day, 3.513 hours/ns, 79.078 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.436     | 12.436     | 12.436     |   0.0 | 98.34
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041056   | 0.041056   | 0.041056   |   0.0 |  0.32
Output  | 6.3334e-05 | 6.3334e-05 | 6.3334e-05 |   0.0 |  0.00
Modify  | 0.14732    | 0.14732    | 0.14732    |   0.0 |  1.16
Other   |            | 0.02138    |            |       |  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:      335998.0 ave      335998 max      335998 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335998
Ave neighs/atom = 167.99900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.725544671488, Press = 1.87578376738562
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8407.2818   -8407.2818   -8482.4691   -8482.4691    290.98252    290.98252    23477.762    23477.762    193.81403    193.81403 
   35000   -8407.1556   -8407.1556   -8483.8026   -8483.8026    296.63186    296.63186    23440.654    23440.654     3814.931     3814.931 
Loop time of 12.6987 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.804 ns/day, 3.527 hours/ns, 78.748 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.487     | 12.487     | 12.487     |   0.0 | 98.33
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041211   | 0.041211   | 0.041211   |   0.0 |  0.32
Output  | 7.659e-05  | 7.659e-05  | 7.659e-05  |   0.0 |  0.00
Modify  | 0.14874    | 0.14874    | 0.14874    |   0.0 |  1.17
Other   |            | 0.02154    |            |       |  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:      335978.0 ave      335978 max      335978 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335978
Ave neighs/atom = 167.98900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.842600992691, Press = 1.9809965428765
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8407.1556   -8407.1556   -8483.8026   -8483.8026    296.63186    296.63186    23440.654    23440.654     3814.931     3814.931 
   36000   -8408.5314   -8408.5314   -8483.1469   -8483.1469     288.7697     288.7697    23441.757    23441.757    3068.3407    3068.3407 
Loop time of 12.6752 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.816 ns/day, 3.521 hours/ns, 78.894 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.465     | 12.465     | 12.465     |   0.0 | 98.34
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041235   | 0.041235   | 0.041235   |   0.0 |  0.33
Output  | 9.4229e-05 | 9.4229e-05 | 9.4229e-05 |   0.0 |  0.00
Modify  | 0.14792    | 0.14792    | 0.14792    |   0.0 |  1.17
Other   |            | 0.02143    |            |       |  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:      335986.0 ave      335986 max      335986 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335986
Ave neighs/atom = 167.99300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.823450562572, Press = 0.855606307933884
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8408.5314   -8408.5314   -8483.1469   -8483.1469     288.7697     288.7697    23441.757    23441.757    3068.3407    3068.3407 
   37000   -8409.7147   -8409.7147   -8484.4922   -8484.4922    289.39659    289.39659    23457.022    23457.022    1856.1061    1856.1061 
Loop time of 12.578 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.869 ns/day, 3.494 hours/ns, 79.504 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.371     | 12.371     | 12.371     |   0.0 | 98.35
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040645   | 0.040645   | 0.040645   |   0.0 |  0.32
Output  | 8.586e-05  | 8.586e-05  | 8.586e-05  |   0.0 |  0.00
Modify  | 0.1453     | 0.1453     | 0.1453     |   0.0 |  1.16
Other   |            | 0.02107    |            |       |  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:      335992.0 ave      335992 max      335992 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335992
Ave neighs/atom = 167.99600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.806356751928, Press = 1.40803165458265
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8409.7147   -8409.7147   -8484.4922   -8484.4922    289.39659    289.39659    23457.022    23457.022    1856.1061    1856.1061 
   38000   -8406.8417   -8406.8417   -8483.2583   -8483.2583    295.74012    295.74012    23480.942    23480.942    25.790373    25.790373 
Loop time of 12.5463 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.887 ns/day, 3.485 hours/ns, 79.705 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.339     | 12.339     | 12.339     |   0.0 | 98.35
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040611   | 0.040611   | 0.040611   |   0.0 |  0.32
Output  | 5.9829e-05 | 5.9829e-05 | 5.9829e-05 |   0.0 |  0.00
Modify  | 0.14525    | 0.14525    | 0.14525    |   0.0 |  1.16
Other   |            | 0.02105    |            |       |  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:      335992.0 ave      335992 max      335992 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335992
Ave neighs/atom = 167.99600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.753244749627, Press = 0.552793818803547
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8406.8417   -8406.8417   -8483.2583   -8483.2583    295.74012    295.74012    23480.942    23480.942    25.790373    25.790373 
   39000    -8406.383    -8406.383   -8484.6625   -8484.6625    302.95003    302.95003    23482.857    23482.857   -449.71277   -449.71277 
Loop time of 12.4599 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.934 ns/day, 3.461 hours/ns, 80.258 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.256     | 12.256     | 12.256     |   0.0 | 98.36
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040193   | 0.040193   | 0.040193   |   0.0 |  0.32
Output  | 6.0309e-05 | 6.0309e-05 | 6.0309e-05 |   0.0 |  0.00
Modify  | 0.1429     | 0.1429     | 0.1429     |   0.0 |  1.15
Other   |            | 0.02087    |            |       |  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:      335992.0 ave      335992 max      335992 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335992
Ave neighs/atom = 167.99600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.693581640216, Press = 1.51230584097944
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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    -8406.383    -8406.383   -8484.6625   -8484.6625    302.95003    302.95003    23482.857    23482.857   -449.71277   -449.71277 
   40000   -8409.9575   -8409.9575   -8486.0122   -8486.0122    294.33936    294.33936    23473.725    23473.725     796.1499     796.1499 
Loop time of 12.5687 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.874 ns/day, 3.491 hours/ns, 79.563 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.362     | 12.362     | 12.362     |   0.0 | 98.35
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040395   | 0.040395   | 0.040395   |   0.0 |  0.32
Output  | 5.9181e-05 | 5.9181e-05 | 5.9181e-05 |   0.0 |  0.00
Modify  | 0.14536    | 0.14536    | 0.14536    |   0.0 |  1.16
Other   |            | 0.02108    |            |       |  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:      335984.0 ave      335984 max      335984 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335984
Ave neighs/atom = 167.99200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.65268564981, Press = 0.762116052039642
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8409.9575   -8409.9575   -8486.0122   -8486.0122    294.33936    294.33936    23473.725    23473.725     796.1499     796.1499 
   41000   -8406.3175   -8406.3175   -8483.6553   -8483.6553    299.30552    299.30552    23468.713    23468.713    1115.6396    1115.6396 
Loop time of 12.5354 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.892 ns/day, 3.482 hours/ns, 79.774 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.328     | 12.328     | 12.328     |   0.0 | 98.35
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040622   | 0.040622   | 0.040622   |   0.0 |  0.32
Output  | 9.3614e-05 | 9.3614e-05 | 9.3614e-05 |   0.0 |  0.00
Modify  | 0.14516    | 0.14516    | 0.14516    |   0.0 |  1.16
Other   |            | 0.02108    |            |       |  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:      335996.0 ave      335996 max      335996 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335996
Ave neighs/atom = 167.99800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.588315127429, Press = 2.34320798628678
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8406.3175   -8406.3175   -8483.6553   -8483.6553    299.30552    299.30552    23468.713    23468.713    1115.6396    1115.6396 
   42000   -8409.0988   -8409.0988    -8483.644    -8483.644    288.49754    288.49754    23467.595    23467.595    766.26413    766.26413 
Loop time of 12.435 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.948 ns/day, 3.454 hours/ns, 80.418 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.233     | 12.233     | 12.233     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039905   | 0.039905   | 0.039905   |   0.0 |  0.32
Output  | 5.9438e-05 | 5.9438e-05 | 5.9438e-05 |   0.0 |  0.00
Modify  | 0.14189    | 0.14189    | 0.14189    |   0.0 |  1.14
Other   |            | 0.02063    |            |       |  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:      335996.0 ave      335996 max      335996 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335996
Ave neighs/atom = 167.99800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.591509694535, Press = 2.79322846136102
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8409.0988   -8409.0988    -8483.644    -8483.644    288.49754    288.49754    23467.595    23467.595    766.26413    766.26413 
   43000   -8404.3582   -8404.3582   -8480.9514   -8480.9514    296.42374    296.42374    23477.141    23477.141    85.316734    85.316734 
Loop time of 12.4468 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.942 ns/day, 3.457 hours/ns, 80.342 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    | 12.244     | 12.244     | 12.244     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039974   | 0.039974   | 0.039974   |   0.0 |  0.32
Output  | 6.622e-05  | 6.622e-05  | 6.622e-05  |   0.0 |  0.00
Modify  | 0.14232    | 0.14232    | 0.14232    |   0.0 |  1.14
Other   |            | 0.02077    |            |       |  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:      335992.0 ave      335992 max      335992 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335992
Ave neighs/atom = 167.99600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.617735139991, Press = 0.524235507907821
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8404.3582   -8404.3582   -8480.9514   -8480.9514    296.42374    296.42374    23477.141    23477.141    85.316734    85.316734 
   44000    -8408.988    -8408.988   -8484.7373   -8484.7373    293.15763    293.15763    23456.656    23456.656    2380.6635    2380.6635 
Loop time of 12.4197 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.957 ns/day, 3.450 hours/ns, 80.518 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.217     | 12.217     | 12.217     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039916   | 0.039916   | 0.039916   |   0.0 |  0.32
Output  | 5.9634e-05 | 5.9634e-05 | 5.9634e-05 |   0.0 |  0.00
Modify  | 0.14219    | 0.14219    | 0.14219    |   0.0 |  1.14
Other   |            | 0.02066    |            |       |  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:      335978.0 ave      335978 max      335978 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335978
Ave neighs/atom = 167.98900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.696359090534, Press = -0.0869834290607697
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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    -8408.988    -8408.988   -8484.7373   -8484.7373    293.15763    293.15763    23456.656    23456.656    2380.6635    2380.6635 
   45000   -8409.3013   -8409.3013    -8484.852    -8484.852    292.38933    292.38933    23466.067    23466.067    1349.3712    1349.3712 
Loop time of 12.4354 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.948 ns/day, 3.454 hours/ns, 80.415 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.232     | 12.232     | 12.232     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040107   | 0.040107   | 0.040107   |   0.0 |  0.32
Output  | 5.9773e-05 | 5.9773e-05 | 5.9773e-05 |   0.0 |  0.00
Modify  | 0.1422     | 0.1422     | 0.1422     |   0.0 |  1.14
Other   |            | 0.02072    |            |       |  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:      335992.0 ave      335992 max      335992 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335992
Ave neighs/atom = 167.99600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.744522390692, Press = 0.535599281132696
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8409.3013   -8409.3013    -8484.852    -8484.852    292.38933    292.38933    23466.067    23466.067    1349.3712    1349.3712 
   46000   -8407.3774   -8407.3774   -8485.3426   -8485.3426    301.73344    301.73344    23465.094    23465.094    1245.8976    1245.8976 
Loop time of 12.4507 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.939 ns/day, 3.459 hours/ns, 80.317 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.247     | 12.247     | 12.247     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039975   | 0.039975   | 0.039975   |   0.0 |  0.32
Output  | 0.00010543 | 0.00010543 | 0.00010543 |   0.0 |  0.00
Modify  | 0.14265    | 0.14265    | 0.14265    |   0.0 |  1.15
Other   |            | 0.02071    |            |       |  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:      335992.0 ave      335992 max      335992 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335992
Ave neighs/atom = 167.99600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.710850078349, Press = 0.229588352884967
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8407.3774   -8407.3774   -8485.3426   -8485.3426    301.73344    301.73344    23465.094    23465.094    1245.8976    1245.8976 
   47000   -8412.2664   -8412.2664   -8486.0689   -8486.0689    285.62313    285.62313    23467.779    23467.779     237.2882     237.2882 
Loop time of 12.4409 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.945 ns/day, 3.456 hours/ns, 80.380 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.238     | 12.238     | 12.238     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039949   | 0.039949   | 0.039949   |   0.0 |  0.32
Output  | 6.0009e-05 | 6.0009e-05 | 6.0009e-05 |   0.0 |  0.00
Modify  | 0.14182    | 0.14182    | 0.14182    |   0.0 |  1.14
Other   |            | 0.02088    |            |       |  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:      335992.0 ave      335992 max      335992 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335992
Ave neighs/atom = 167.99600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.670473365922, Press = -0.692162875422721
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8412.2664   -8412.2664   -8486.0689   -8486.0689    285.62313    285.62313    23467.779    23467.779     237.2882     237.2882 
   48000   -8407.1846   -8407.1846   -8485.2517   -8485.2517    302.12787    302.12787    23457.928    23457.928    1815.7485    1815.7485 
Loop time of 12.4205 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.956 ns/day, 3.450 hours/ns, 80.512 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    | 12.219     | 12.219     | 12.219     |   0.0 | 98.38
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039779   | 0.039779   | 0.039779   |   0.0 |  0.32
Output  | 6.0366e-05 | 6.0366e-05 | 6.0366e-05 |   0.0 |  0.00
Modify  | 0.1411     | 0.1411     | 0.1411     |   0.0 |  1.14
Other   |            | 0.02056    |            |       |  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:      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 = 292.666791325354, Press = -0.668815780038036
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8407.1846   -8407.1846   -8485.2517   -8485.2517    302.12787    302.12787    23457.928    23457.928    1815.7485    1815.7485 
   49000   -8408.9049   -8408.9049    -8483.294    -8483.294    287.89333    287.89333    23457.838    23457.838    1264.1399    1264.1399 
Loop time of 12.4431 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.944 ns/day, 3.456 hours/ns, 80.366 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.24      | 12.24      | 12.24      |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039919   | 0.039919   | 0.039919   |   0.0 |  0.32
Output  | 6.0877e-05 | 6.0877e-05 | 6.0877e-05 |   0.0 |  0.00
Modify  | 0.14211    | 0.14211    | 0.14211    |   0.0 |  1.14
Other   |            | 0.02073    |            |       |  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:      335990.0 ave      335990 max      335990 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335990
Ave neighs/atom = 167.99500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.700367878369, Press = -1.45289618380504
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8408.9049   -8408.9049    -8483.294    -8483.294    287.89333    287.89333    23457.838    23457.838    1264.1399    1264.1399 
   50000   -8404.8206   -8404.8206    -8483.509    -8483.509    304.53233    304.53233    23447.843    23447.843    2377.8682    2377.8682 
Loop time of 12.4441 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.943 ns/day, 3.457 hours/ns, 80.360 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.241     | 12.241     | 12.241     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040031   | 0.040031   | 0.040031   |   0.0 |  0.32
Output  | 5.9935e-05 | 5.9935e-05 | 5.9935e-05 |   0.0 |  0.00
Modify  | 0.14201    | 0.14201    | 0.14201    |   0.0 |  1.14
Other   |            | 0.02073    |            |       |  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:      335988.0 ave      335988 max      335988 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335988
Ave neighs/atom = 167.99400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.759262025849, Press = -0.844392519027423
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8404.8206   -8404.8206    -8483.509    -8483.509    304.53233    304.53233    23447.843    23447.843    2377.8682    2377.8682 
   51000   -8410.1814   -8410.1814   -8482.6688   -8482.6688    280.53366    280.53366     23483.62     23483.62   -764.79632   -764.79632 
Loop time of 12.437 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.947 ns/day, 3.455 hours/ns, 80.405 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.234     | 12.234     | 12.234     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040147   | 0.040147   | 0.040147   |   0.0 |  0.32
Output  | 8.8366e-05 | 8.8366e-05 | 8.8366e-05 |   0.0 |  0.00
Modify  | 0.14176    | 0.14176    | 0.14176    |   0.0 |  1.14
Other   |            | 0.02062    |            |       |  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:      335984.0 ave      335984 max      335984 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335984
Ave neighs/atom = 167.99200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.769215020972, Press = -0.431296303821025
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8410.1814   -8410.1814   -8482.6688   -8482.6688    280.53366    280.53366     23483.62     23483.62   -764.79632   -764.79632 
   52000   -8407.2593   -8407.2593    -8483.566    -8483.566    295.31495    295.31495     23477.53     23477.53    458.74254    458.74254 
Loop time of 12.4511 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.939 ns/day, 3.459 hours/ns, 80.314 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.248     | 12.248     | 12.248     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039952   | 0.039952   | 0.039952   |   0.0 |  0.32
Output  | 5.8099e-05 | 5.8099e-05 | 5.8099e-05 |   0.0 |  0.00
Modify  | 0.14206    | 0.14206    | 0.14206    |   0.0 |  1.14
Other   |            | 0.02076    |            |       |  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:      335984.0 ave      335984 max      335984 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335984
Ave neighs/atom = 167.99200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.760726081808, Press = -0.00369640888182223
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8407.2593   -8407.2593    -8483.566    -8483.566    295.31495    295.31495     23477.53     23477.53    458.74254    458.74254 
   53000   -8409.5377   -8409.5377   -8484.8077   -8484.8077    291.30256    291.30256    23464.672    23464.672    1537.5185    1537.5185 
Loop time of 12.474 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.926 ns/day, 3.465 hours/ns, 80.167 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.271     | 12.271     | 12.271     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04003    | 0.04003    | 0.04003    |   0.0 |  0.32
Output  | 5.9728e-05 | 5.9728e-05 | 5.9728e-05 |   0.0 |  0.00
Modify  | 0.14242    | 0.14242    | 0.14242    |   0.0 |  1.14
Other   |            | 0.0208     |            |       |  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:      335986.0 ave      335986 max      335986 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335986
Ave neighs/atom = 167.99300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.770049482244, Press = -0.027482973984773
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8409.5377   -8409.5377   -8484.8077   -8484.8077    291.30256    291.30256    23464.672    23464.672    1537.5185    1537.5185 
   54000   -8406.7171   -8406.7171   -8482.0491   -8482.0491    291.54273    291.54273    23471.829    23471.829    466.63519    466.63519 
Loop time of 12.4543 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.937 ns/day, 3.460 hours/ns, 80.294 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.251     | 12.251     | 12.251     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040124   | 0.040124   | 0.040124   |   0.0 |  0.32
Output  | 6.2134e-05 | 6.2134e-05 | 6.2134e-05 |   0.0 |  0.00
Modify  | 0.1423     | 0.1423     | 0.1423     |   0.0 |  1.14
Other   |            | 0.02078    |            |       |  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:      335994.0 ave      335994 max      335994 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335994
Ave neighs/atom = 167.99700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.753970637789, Press = -0.346735265722027
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8406.7171   -8406.7171   -8482.0491   -8482.0491    291.54273    291.54273    23471.829    23471.829    466.63519    466.63519 
   55000   -8410.2578   -8410.2578   -8485.3149   -8485.3149    290.47852    290.47852    23485.205    23485.205   -258.89464   -258.89464 
Loop time of 12.4618 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.933 ns/day, 3.462 hours/ns, 80.245 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.259     | 12.259     | 12.259     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039906   | 0.039906   | 0.039906   |   0.0 |  0.32
Output  | 7.7397e-05 | 7.7397e-05 | 7.7397e-05 |   0.0 |  0.00
Modify  | 0.14228    | 0.14228    | 0.14228    |   0.0 |  1.14
Other   |            | 0.02075    |            |       |  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:      335996.0 ave      335996 max      335996 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335996
Ave neighs/atom = 167.99800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.761900941913, Press = -1.93598447301352
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8410.2578   -8410.2578   -8485.3149   -8485.3149    290.47852    290.47852    23485.205    23485.205   -258.89464   -258.89464 
   56000   -8406.7596   -8406.7596   -8483.3206   -8483.3206     296.2991     296.2991     23483.61     23483.61   -859.97134   -859.97134 
Loop time of 12.4684 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.930 ns/day, 3.463 hours/ns, 80.203 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.265     | 12.265     | 12.265     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040151   | 0.040151   | 0.040151   |   0.0 |  0.32
Output  | 6.2735e-05 | 6.2735e-05 | 6.2735e-05 |   0.0 |  0.00
Modify  | 0.1424     | 0.1424     | 0.1424     |   0.0 |  1.14
Other   |            | 0.02076    |            |       |  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:      335980.0 ave      335980 max      335980 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335980
Ave neighs/atom = 167.99000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.713387270853, Press = -0.427687965240309
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8406.7596   -8406.7596   -8483.3206   -8483.3206     296.2991     296.2991     23483.61     23483.61   -859.97134   -859.97134 
   57000   -8410.8178   -8410.8178   -8485.4698   -8485.4698    288.91102    288.91102    23488.555    23488.555   -1151.2968   -1151.2968 
Loop time of 12.4556 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.937 ns/day, 3.460 hours/ns, 80.285 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.252     | 12.252     | 12.252     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040115   | 0.040115   | 0.040115   |   0.0 |  0.32
Output  | 5.9064e-05 | 5.9064e-05 | 5.9064e-05 |   0.0 |  0.00
Modify  | 0.14225    | 0.14225    | 0.14225    |   0.0 |  1.14
Other   |            | 0.02074    |            |       |  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:      335992.0 ave      335992 max      335992 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335992
Ave neighs/atom = 167.99600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.701537957292, Press = -0.211396261068501
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8410.8178   -8410.8178   -8485.4698   -8485.4698    288.91102    288.91102    23488.555    23488.555   -1151.2968   -1151.2968 
   58000   -8405.5029   -8405.5029    -8480.868    -8480.868    291.67051    291.67051    23478.459    23478.459     117.7979     117.7979 
Loop time of 12.4286 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.952 ns/day, 3.452 hours/ns, 80.459 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.226     | 12.226     | 12.226     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039875   | 0.039875   | 0.039875   |   0.0 |  0.32
Output  | 5.9743e-05 | 5.9743e-05 | 5.9743e-05 |   0.0 |  0.00
Modify  | 0.14183    | 0.14183    | 0.14183    |   0.0 |  1.14
Other   |            | 0.02071    |            |       |  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:      335992.0 ave      335992 max      335992 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335992
Ave neighs/atom = 167.99600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.704185627109, Press = 0.322363859513589
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8405.5029   -8405.5029    -8480.868    -8480.868    291.67051    291.67051    23478.459    23478.459     117.7979     117.7979 
   59000   -8409.0472   -8409.0472   -8484.6621   -8484.6621    292.63748    292.63748    23494.997    23494.997   -2052.2271   -2052.2271 
Loop time of 12.4563 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.936 ns/day, 3.460 hours/ns, 80.280 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.254     | 12.254     | 12.254     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039804   | 0.039804   | 0.039804   |   0.0 |  0.32
Output  | 6.1039e-05 | 6.1039e-05 | 6.1039e-05 |   0.0 |  0.00
Modify  | 0.14207    | 0.14207    | 0.14207    |   0.0 |  1.14
Other   |            | 0.02072    |            |       |  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:      335988.0 ave      335988 max      335988 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335988
Ave neighs/atom = 167.99400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.737777050946, Press = 0.348465980133758
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8409.0472   -8409.0472   -8484.6621   -8484.6621    292.63748    292.63748    23494.997    23494.997   -2052.2271   -2052.2271 
   60000   -8405.4553   -8405.4553   -8481.4244   -8481.4244    294.00811    294.00811    23497.935    23497.935   -1658.2924   -1658.2924 
Loop time of 12.4572 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.936 ns/day, 3.460 hours/ns, 80.275 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.254     | 12.254     | 12.254     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04006    | 0.04006    | 0.04006    |   0.0 |  0.32
Output  | 8.7636e-05 | 8.7636e-05 | 8.7636e-05 |   0.0 |  0.00
Modify  | 0.14207    | 0.14207    | 0.14207    |   0.0 |  1.14
Other   |            | 0.02076    |            |       |  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:      335982.0 ave      335982 max      335982 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335982
Ave neighs/atom = 167.99100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.781811240959, Press = -0.632216669696029
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8405.4553   -8405.4553   -8481.4244   -8481.4244    294.00811    294.00811    23497.935    23497.935   -1658.2924   -1658.2924 
   61000   -8408.4125   -8408.4125   -8485.9141   -8485.9141    299.93906    299.93906    23505.363    23505.363   -2269.7627   -2269.7627 
Loop time of 12.4307 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.951 ns/day, 3.453 hours/ns, 80.446 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.229     | 12.229     | 12.229     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039933   | 0.039933   | 0.039933   |   0.0 |  0.32
Output  | 5.8997e-05 | 5.8997e-05 | 5.8997e-05 |   0.0 |  0.00
Modify  | 0.14147    | 0.14147    | 0.14147    |   0.0 |  1.14
Other   |            | 0.02066    |            |       |  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:      335994.0 ave      335994 max      335994 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335994
Ave neighs/atom = 167.99700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.786892331769, Press = -0.815266568398348
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8408.4125   -8408.4125   -8485.9141   -8485.9141    299.93906    299.93906    23505.363    23505.363   -2269.7627   -2269.7627 
   62000   -8406.4898   -8406.4898   -8482.7781   -8482.7781    295.24362    295.24362    23494.122    23494.122   -573.08907   -573.08907 
Loop time of 12.4348 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.948 ns/day, 3.454 hours/ns, 80.420 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.233     | 12.233     | 12.233     |   0.0 | 98.38
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040105   | 0.040105   | 0.040105   |   0.0 |  0.32
Output  | 5.8261e-05 | 5.8261e-05 | 5.8261e-05 |   0.0 |  0.00
Modify  | 0.14111    | 0.14111    | 0.14111    |   0.0 |  1.13
Other   |            | 0.02058    |            |       |  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:      335990.0 ave      335990 max      335990 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335990
Ave neighs/atom = 167.99500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.779146301292, Press = 0.777866303392523
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8406.4898   -8406.4898   -8482.7781   -8482.7781    295.24362    295.24362    23494.122    23494.122   -573.08907   -573.08907 
   63000   -8411.5728   -8411.5728   -8486.3733   -8486.3733    289.48554    289.48554    23485.685    23485.685   -107.93091   -107.93091 
Loop time of 12.3992 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.968 ns/day, 3.444 hours/ns, 80.651 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.199     | 12.199     | 12.199     |   0.0 | 98.38
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039742   | 0.039742   | 0.039742   |   0.0 |  0.32
Output  | 5.7551e-05 | 5.7551e-05 | 5.7551e-05 |   0.0 |  0.00
Modify  | 0.14046    | 0.14046    | 0.14046    |   0.0 |  1.13
Other   |            | 0.0204     |            |       |  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:      335992.0 ave      335992 max      335992 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335992
Ave neighs/atom = 167.99600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.740283535625, Press = 0.640013905172804
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8411.5728   -8411.5728   -8486.3733   -8486.3733    289.48554    289.48554    23485.685    23485.685   -107.93091   -107.93091 
   64000   -8406.0129   -8406.0129   -8481.1896   -8481.1896    290.94171    290.94171    23491.687    23491.687   -592.52111   -592.52111 
Loop time of 12.392 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.972 ns/day, 3.442 hours/ns, 80.697 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.191     | 12.191     | 12.191     |   0.0 | 98.38
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039614   | 0.039614   | 0.039614   |   0.0 |  0.32
Output  | 5.516e-05  | 5.516e-05  | 5.516e-05  |   0.0 |  0.00
Modify  | 0.14045    | 0.14045    | 0.14045    |   0.0 |  1.13
Other   |            | 0.02039    |            |       |  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:      335992.0 ave      335992 max      335992 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335992
Ave neighs/atom = 167.99600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.744149258589, Press = 0.669351372698566
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8406.0129   -8406.0129   -8481.1896   -8481.1896    290.94171    290.94171    23491.687    23491.687   -592.52111   -592.52111 
   65000   -8407.0988   -8407.0988   -8483.1735   -8483.1735    294.41683    294.41683    23521.783    23521.783   -3255.1986   -3255.1986 
Loop time of 12.4022 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.966 ns/day, 3.445 hours/ns, 80.631 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.202     | 12.202     | 12.202     |   0.0 | 98.38
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039751   | 0.039751   | 0.039751   |   0.0 |  0.32
Output  | 9.811e-05  | 9.811e-05  | 9.811e-05  |   0.0 |  0.00
Modify  | 0.14032    | 0.14032    | 0.14032    |   0.0 |  1.13
Other   |            | 0.02039    |            |       |  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:      335988.0 ave      335988 max      335988 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335988
Ave neighs/atom = 167.99400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.762417792058, Press = 1.40625316288902
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8407.0988   -8407.0988   -8483.1735   -8483.1735    294.41683    294.41683    23521.783    23521.783   -3255.1986   -3255.1986 
   66000   -8408.1964   -8408.1964     -8483.86     -8483.86    292.82608    292.82608    23475.334    23475.334    118.72959    118.72959 
Loop time of 12.3953 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.970 ns/day, 3.443 hours/ns, 80.676 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.195     | 12.195     | 12.195     |   0.0 | 98.38
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039735   | 0.039735   | 0.039735   |   0.0 |  0.32
Output  | 6.0569e-05 | 6.0569e-05 | 6.0569e-05 |   0.0 |  0.00
Modify  | 0.14035    | 0.14035    | 0.14035    |   0.0 |  1.13
Other   |            | 0.02043    |            |       |  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:      335986.0 ave      335986 max      335986 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335986
Ave neighs/atom = 167.99300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.812741269665, Press = 1.92485987332793
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8408.1964   -8408.1964     -8483.86     -8483.86    292.82608    292.82608    23475.334    23475.334    118.72959    118.72959 
   67000   -8405.9103   -8405.9103   -8482.3345   -8482.3345    295.76923    295.76923    23484.998    23484.998   -1064.4145   -1064.4145 
Loop time of 12.4087 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.963 ns/day, 3.447 hours/ns, 80.588 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.208     | 12.208     | 12.208     |   0.0 | 98.38
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039784   | 0.039784   | 0.039784   |   0.0 |  0.32
Output  | 5.5446e-05 | 5.5446e-05 | 5.5446e-05 |   0.0 |  0.00
Modify  | 0.14023    | 0.14023    | 0.14023    |   0.0 |  1.13
Other   |            | 0.02047    |            |       |  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:      335990.0 ave      335990 max      335990 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335990
Ave neighs/atom = 167.99500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.811918717362, Press = 0.374748052154893
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8405.9103   -8405.9103   -8482.3345   -8482.3345    295.76923    295.76923    23484.998    23484.998   -1064.4145   -1064.4145 
   68000   -8409.7716   -8409.7716   -8485.3297   -8485.3297    292.41747    292.41747    23483.091    23483.091   -256.15292   -256.15292 
Loop time of 12.3994 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.968 ns/day, 3.444 hours/ns, 80.649 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.199     | 12.199     | 12.199     |   0.0 | 98.38
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039698   | 0.039698   | 0.039698   |   0.0 |  0.32
Output  | 5.634e-05  | 5.634e-05  | 5.634e-05  |   0.0 |  0.00
Modify  | 0.14019    | 0.14019    | 0.14019    |   0.0 |  1.13
Other   |            | 0.02059    |            |       |  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:      335986.0 ave      335986 max      335986 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335986
Ave neighs/atom = 167.99300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.826173999296, Press = 0.995188567733642
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8409.7716   -8409.7716   -8485.3297   -8485.3297    292.41747    292.41747    23483.091    23483.091   -256.15292   -256.15292 
   69000   -8405.4042   -8405.4042   -8481.7928   -8481.7928    295.63171    295.63171     23485.47     23485.47   -546.19503   -546.19503 
Loop time of 12.4015 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.967 ns/day, 3.445 hours/ns, 80.635 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.201     | 12.201     | 12.201     |   0.0 | 98.38
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039605   | 0.039605   | 0.039605   |   0.0 |  0.32
Output  | 5.6321e-05 | 5.6321e-05 | 5.6321e-05 |   0.0 |  0.00
Modify  | 0.14038    | 0.14038    | 0.14038    |   0.0 |  1.13
Other   |            | 0.0204     |            |       |  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:      335986.0 ave      335986 max      335986 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335986
Ave neighs/atom = 167.99300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.845117432189, Press = 0.924011086963003
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8405.4042   -8405.4042   -8481.7928   -8481.7928    295.63171    295.63171     23485.47     23485.47   -546.19503   -546.19503 
   70000   -8408.4084   -8408.4084   -8483.8859   -8483.8859    292.10572    292.10572    23494.618    23494.618   -1476.0188   -1476.0188 
Loop time of 12.39 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.973 ns/day, 3.442 hours/ns, 80.710 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.19      | 12.19      | 12.19      |   0.0 | 98.38
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039649   | 0.039649   | 0.039649   |   0.0 |  0.32
Output  | 8.9923e-05 | 8.9923e-05 | 8.9923e-05 |   0.0 |  0.00
Modify  | 0.14026    | 0.14026    | 0.14026    |   0.0 |  1.13
Other   |            | 0.02041    |            |       |  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:      335992.0 ave      335992 max      335992 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335992
Ave neighs/atom = 167.99600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.847589514627, Press = 0.845496623829328
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8408.4084   -8408.4084   -8483.8859   -8483.8859    292.10572    292.10572    23494.618    23494.618   -1476.0188   -1476.0188 
   71000   -8409.0427   -8409.0427   -8484.2123   -8484.2123     290.9144     290.9144    23477.442    23477.442    871.12045    871.12045 
Loop time of 12.3889 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.974 ns/day, 3.441 hours/ns, 80.718 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.188     | 12.188     | 12.188     |   0.0 | 98.38
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039748   | 0.039748   | 0.039748   |   0.0 |  0.32
Output  | 5.5826e-05 | 5.5826e-05 | 5.5826e-05 |   0.0 |  0.00
Modify  | 0.14021    | 0.14021    | 0.14021    |   0.0 |  1.13
Other   |            | 0.02047    |            |       |  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:      335988.0 ave      335988 max      335988 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335988
Ave neighs/atom = 167.99400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.856297455859, Press = 1.1840684720772
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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   -8409.0427   -8409.0427   -8484.2123   -8484.2123     290.9144     290.9144    23477.442    23477.442    871.12045    871.12045 
   72000   -8403.6395   -8403.6395   -8481.6783   -8481.6783    302.01819    302.01819    23493.661    23493.661    -1171.518    -1171.518 
Loop time of 12.3968 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.970 ns/day, 3.444 hours/ns, 80.666 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.196     | 12.196     | 12.196     |   0.0 | 98.38
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039839   | 0.039839   | 0.039839   |   0.0 |  0.32
Output  | 5.4793e-05 | 5.4793e-05 | 5.4793e-05 |   0.0 |  0.00
Modify  | 0.14008    | 0.14008    | 0.14008    |   0.0 |  1.13
Other   |            | 0.02048    |            |       |  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:      335984.0 ave      335984 max      335984 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335984
Ave neighs/atom = 167.99200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.866487162163, Press = 1.07687805287273
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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 
   72000   -8403.6395   -8403.6395   -8481.6783   -8481.6783    302.01819    302.01819    23493.661    23493.661    -1171.518    -1171.518 
   73000   -8409.3149   -8409.3149   -8482.7427   -8482.7427     284.1735     284.1735    23488.952    23488.952    -902.5928    -902.5928 
Loop time of 12.3927 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.972 ns/day, 3.442 hours/ns, 80.693 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.192     | 12.192     | 12.192     |   0.0 | 98.38
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039614   | 0.039614   | 0.039614   |   0.0 |  0.32
Output  | 5.7785e-05 | 5.7785e-05 | 5.7785e-05 |   0.0 |  0.00
Modify  | 0.14043    | 0.14043    | 0.14043    |   0.0 |  1.13
Other   |            | 0.02045    |            |       |  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:      335998.0 ave      335998 max      335998 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335998
Ave neighs/atom = 167.99900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.909277516158, Press = 0.977630166715541
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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 
   73000   -8409.3149   -8409.3149   -8482.7427   -8482.7427     284.1735     284.1735    23488.952    23488.952    -902.5928    -902.5928 
   74000   -8407.3837   -8407.3837   -8484.1134   -8484.1134    296.95157    296.95157    23493.272    23493.272   -1108.2929   -1108.2929 
Loop time of 12.3937 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.971 ns/day, 3.443 hours/ns, 80.686 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.193     | 12.193     | 12.193     |   0.0 | 98.38
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039821   | 0.039821   | 0.039821   |   0.0 |  0.32
Output  | 5.5643e-05 | 5.5643e-05 | 5.5643e-05 |   0.0 |  0.00
Modify  | 0.14028    | 0.14028    | 0.14028    |   0.0 |  1.13
Other   |            | 0.02041    |            |       |  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:      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 = 292.929309858827, Press = 1.52187183062562
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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 
   74000   -8407.3837   -8407.3837   -8484.1134   -8484.1134    296.95157    296.95157    23493.272    23493.272   -1108.2929   -1108.2929 
   75000   -8410.2902   -8410.2902   -8484.7916   -8484.7916    288.32804    288.32804    23462.039    23462.039    1986.0468    1986.0468 
Loop time of 12.3914 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.973 ns/day, 3.442 hours/ns, 80.701 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.191     | 12.191     | 12.191     |   0.0 | 98.38
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039872   | 0.039872   | 0.039872   |   0.0 |  0.32
Output  | 8.8139e-05 | 8.8139e-05 | 8.8139e-05 |   0.0 |  0.00
Modify  | 0.14043    | 0.14043    | 0.14043    |   0.0 |  1.13
Other   |            | 0.02043    |            |       |  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:      335992.0 ave      335992 max      335992 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335992
Ave neighs/atom = 167.99600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.935062651868, Press = 1.96485247373168
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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 
   75000   -8410.2902   -8410.2902   -8484.7916   -8484.7916    288.32804    288.32804    23462.039    23462.039    1986.0468    1986.0468 
   76000   -8407.8281   -8407.8281   -8483.5267   -8483.5267    292.96123    292.96123    23452.537    23452.537    2242.2477    2242.2477 
Loop time of 12.4049 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.965 ns/day, 3.446 hours/ns, 80.614 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.204     | 12.204     | 12.204     |   0.0 | 98.38
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039704   | 0.039704   | 0.039704   |   0.0 |  0.32
Output  | 5.66e-05   | 5.66e-05   | 5.66e-05   |   0.0 |  0.00
Modify  | 0.14029    | 0.14029    | 0.14029    |   0.0 |  1.13
Other   |            | 0.02042    |            |       |  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:      335998.0 ave      335998 max      335998 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335998
Ave neighs/atom = 167.99900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.943327850452, Press = 0.779079708569898
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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 
   76000   -8407.8281   -8407.8281   -8483.5267   -8483.5267    292.96123    292.96123    23452.537    23452.537    2242.2477    2242.2477 
   77000    -8406.884    -8406.884   -8482.8858   -8482.8858    294.13489    294.13489    23462.943    23462.943    1033.2955    1033.2955 
Loop time of 12.4258 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.953 ns/day, 3.452 hours/ns, 80.478 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.225     | 12.225     | 12.225     |   0.0 | 98.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03963    | 0.03963    | 0.03963    |   0.0 |  0.32
Output  | 5.8791e-05 | 5.8791e-05 | 5.8791e-05 |   0.0 |  0.00
Modify  | 0.14032    | 0.14032    | 0.14032    |   0.0 |  1.13
Other   |            | 0.02048    |            |       |  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:      335990.0 ave      335990 max      335990 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335990
Ave neighs/atom = 167.99500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.938061154865, Press = 0.226831649732916
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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 
   77000    -8406.884    -8406.884   -8482.8858   -8482.8858    294.13489    294.13489    23462.943    23462.943    1033.2955    1033.2955 
   78000   -8412.5032   -8412.5032   -8486.4005   -8486.4005    285.99041    285.99041    23448.734    23448.734    2261.0681    2261.0681 
Loop time of 12.4071 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.964 ns/day, 3.446 hours/ns, 80.599 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.206     | 12.206     | 12.206     |   0.0 | 98.38
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039927   | 0.039927   | 0.039927   |   0.0 |  0.32
Output  | 5.7227e-05 | 5.7227e-05 | 5.7227e-05 |   0.0 |  0.00
Modify  | 0.14039    | 0.14039    | 0.14039    |   0.0 |  1.13
Other   |            | 0.02038    |            |       |  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:      335992.0 ave      335992 max      335992 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335992
Ave neighs/atom = 167.99600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.917283479843, Press = 0.714750841199617
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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 
   78000   -8412.5032   -8412.5032   -8486.4005   -8486.4005    285.99041    285.99041    23448.734    23448.734    2261.0681    2261.0681 
   79000   -8407.0868   -8407.0868   -8481.5225   -8481.5225    288.07397    288.07397    23448.951    23448.951    1895.3028    1895.3028 
Loop time of 12.3856 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.976 ns/day, 3.440 hours/ns, 80.739 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.185     | 12.185     | 12.185     |   0.0 | 98.38
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03972    | 0.03972    | 0.03972    |   0.0 |  0.32
Output  | 5.7377e-05 | 5.7377e-05 | 5.7377e-05 |   0.0 |  0.00
Modify  | 0.14036    | 0.14036    | 0.14036    |   0.0 |  1.13
Other   |            | 0.0204     |            |       |  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:      335988.0 ave      335988 max      335988 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335988
Ave neighs/atom = 167.99400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.900171060881, Press = 0.4829142648037
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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 
   79000   -8407.0868   -8407.0868   -8481.5225   -8481.5225    288.07397    288.07397    23448.951    23448.951    1895.3028    1895.3028 
   80000   -8411.1935   -8411.1935    -8484.558    -8484.558     283.9283     283.9283    23426.351    23426.351    4499.1882    4499.1882 
Loop time of 12.4073 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.964 ns/day, 3.446 hours/ns, 80.598 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.207     | 12.207     | 12.207     |   0.0 | 98.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039658   | 0.039658   | 0.039658   |   0.0 |  0.32
Output  | 8.642e-05  | 8.642e-05  | 8.642e-05  |   0.0 |  0.00
Modify  | 0.14016    | 0.14016    | 0.14016    |   0.0 |  1.13
Other   |            | 0.02043    |            |       |  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:      335978.0 ave      335978 max      335978 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335978
Ave neighs/atom = 167.98900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.868139062356, Press = 0.311939426936571
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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 
   80000   -8411.1935   -8411.1935    -8484.558    -8484.558     283.9283     283.9283    23426.351    23426.351    4499.1882    4499.1882 
   81000   -8409.0683   -8409.0683    -8483.512    -8483.512    288.10475    288.10475    23456.218    23456.218    2064.3517    2064.3517 
Loop time of 12.3899 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.973 ns/day, 3.442 hours/ns, 80.711 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.19      | 12.19      | 12.19      |   0.0 | 98.38
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039751   | 0.039751   | 0.039751   |   0.0 |  0.32
Output  | 5.7107e-05 | 5.7107e-05 | 5.7107e-05 |   0.0 |  0.00
Modify  | 0.14006    | 0.14006    | 0.14006    |   0.0 |  1.13
Other   |            | 0.02037    |            |       |  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:      335990.0 ave      335990 max      335990 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335990
Ave neighs/atom = 167.99500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.87795884436, Press = 0.942966769555765
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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 
   81000   -8409.0683   -8409.0683    -8483.512    -8483.512    288.10475    288.10475    23456.218    23456.218    2064.3517    2064.3517 
   82000   -8405.8155   -8405.8155   -8483.8302   -8483.8302    301.92493    301.92493    23474.586    23474.586    460.04522    460.04522 
Loop time of 12.3741 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.982 ns/day, 3.437 hours/ns, 80.814 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.173     | 12.173     | 12.173     |   0.0 | 98.38
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039918   | 0.039918   | 0.039918   |   0.0 |  0.32
Output  | 5.6201e-05 | 5.6201e-05 | 5.6201e-05 |   0.0 |  0.00
Modify  | 0.14032    | 0.14032    | 0.14032    |   0.0 |  1.13
Other   |            | 0.02042    |            |       |  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:      335996.0 ave      335996 max      335996 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335996
Ave neighs/atom = 167.99800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.882241409028, Press = 0.705660157402003
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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 
   82000   -8405.8155   -8405.8155   -8483.8302   -8483.8302    301.92493    301.92493    23474.586    23474.586    460.04522    460.04522 
   83000   -8407.8683   -8407.8683   -8483.2394   -8483.2394    291.69407    291.69407    23442.673    23442.673    3865.3595    3865.3595 
Loop time of 12.3981 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.969 ns/day, 3.444 hours/ns, 80.657 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.198     | 12.198     | 12.198     |   0.0 | 98.38
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039869   | 0.039869   | 0.039869   |   0.0 |  0.32
Output  | 5.9968e-05 | 5.9968e-05 | 5.9968e-05 |   0.0 |  0.00
Modify  | 0.14006    | 0.14006    | 0.14006    |   0.0 |  1.13
Other   |            | 0.02043    |            |       |  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:      335990.0 ave      335990 max      335990 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335990
Ave neighs/atom = 167.99500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.887344152683, Press = 0.18182827999811
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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 
   83000   -8407.8683   -8407.8683   -8483.2394   -8483.2394    291.69407    291.69407    23442.673    23442.673    3865.3595    3865.3595 
   84000   -8405.4033   -8405.4033   -8482.7475   -8482.7475    299.33011    299.33011    23437.561    23437.561    3137.2728    3137.2728 
Loop time of 12.3672 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.986 ns/day, 3.435 hours/ns, 80.859 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.167     | 12.167     | 12.167     |   0.0 | 98.38
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039646   | 0.039646   | 0.039646   |   0.0 |  0.32
Output  | 8.0061e-05 | 8.0061e-05 | 8.0061e-05 |   0.0 |  0.00
Modify  | 0.1399     | 0.1399     | 0.1399     |   0.0 |  1.13
Other   |            | 0.02037    |            |       |  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:      335990.0 ave      335990 max      335990 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335990
Ave neighs/atom = 167.99500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.925649763617, Press = 0.0348240972358655
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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 
   84000   -8405.4033   -8405.4033   -8482.7475   -8482.7475    299.33011    299.33011    23437.561    23437.561    3137.2728    3137.2728 
   85000   -8408.3145   -8408.3145   -8482.8492   -8482.8492    288.45719    288.45719    23452.483    23452.483    2312.1368    2312.1368 
Loop time of 12.4132 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.960 ns/day, 3.448 hours/ns, 80.559 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.213     | 12.213     | 12.213     |   0.0 | 98.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039666   | 0.039666   | 0.039666   |   0.0 |  0.32
Output  | 5.9083e-05 | 5.9083e-05 | 5.9083e-05 |   0.0 |  0.00
Modify  | 0.13995    | 0.13995    | 0.13995    |   0.0 |  1.13
Other   |            | 0.02042    |            |       |  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:      335992.0 ave      335992 max      335992 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335992
Ave neighs/atom = 167.99600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.938477831586, Press = 0.0290769130845302
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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 
   85000   -8408.3145   -8408.3145   -8482.8492   -8482.8492    288.45719    288.45719    23452.483    23452.483    2312.1368    2312.1368 
   86000    -8406.089    -8406.089   -8483.2741   -8483.2741    298.71408    298.71408    23449.057    23449.057    2639.0514    2639.0514 
Loop time of 12.3944 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.971 ns/day, 3.443 hours/ns, 80.681 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.194     | 12.194     | 12.194     |   0.0 | 98.38
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039675   | 0.039675   | 0.039675   |   0.0 |  0.32
Output  | 5.6e-05    | 5.6e-05    | 5.6e-05    |   0.0 |  0.00
Modify  | 0.1403     | 0.1403     | 0.1403     |   0.0 |  1.13
Other   |            | 0.02042    |            |       |  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:      335984.0 ave      335984 max      335984 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335984
Ave neighs/atom = 167.99200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.958818416415, Press = 0.312690469365129
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.709524
  ghost atom cutoff = 7.709524
  binsize = 3.854762, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.709524
      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 
   86000    -8406.089    -8406.089   -8483.2741   -8483.2741    298.71408    298.71408    23449.057    23449.057    2639.0514    2639.0514 
   87000   -8408.1281   -8408.1281   -8483.4188   -8483.4188    291.38296    291.38296    23457.832    23457.832    1530.3495    1530.3495 
Loop time of 12.3804 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.979 ns/day, 3.439 hours/ns, 80.773 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.18      | 12.18      | 12.18      |   0.0 | 98.38
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039581   | 0.039581   | 0.039581   |   0.0 |  0.32
Output  | 6.2345e-05 | 6.2345e-05 | 6.2345e-05 |   0.0 |  0.00
Modify  | 0.1402     | 0.1402     | 0.1402     |   0.0 |  1.13
Other   |            | 0.02045    |            |       |  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:      335990.0 ave      335990 max      335990 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335990
Ave neighs/atom = 167.99500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${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
23478.4269386634

print "LAMMPS calculation completed"
LAMMPS calculation completed
quit 0