# 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 2.999911956489086*${_u_distance}
variable latticeconst_converted equal 2.999911956489086*1
lattice       bcc  ${latticeconst_converted}
lattice       bcc  2.99991195648909
Lattice spacing in x,y,z = 2.999912 2.999912 2.999912
region        simbox  block 0 10 0 10 0 10 units lattice
create_box    1 simbox
Created orthogonal box = (0 0 0) to (29.99912 29.99912 29.99912)
  1 by 1 by 1 MPI processor grid
create_atoms  1 box
Created 2000 atoms
  using lattice units in orthogonal box = (0 0 0) to (29.99912 29.99912 29.99912)
  create_atoms CPU = 0.000 seconds

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

kim_interactions V

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

kim interactions V
#=== BEGIN kim interactions ==================================
pair_style kim MEAM_LAMMPS_MaiselKoZhang_2017_VNiTi__MO_744610363128_002
pair_coeff * * V
#=== END kim interactions ====================================


mass          1 ${mass_converted}
mass          1 50.9415

# initial volume
variable      v equal vol        # assign formula
variable      V0 equal ${v}    # evaluate initial value
variable      V0 equal 26997.6228949697    
variable      V0_metal equal ${V0}/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 26997.6228949697/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 26997.6228949697/(1*${_u_distance}*${_u_distance})
variable      V0_metal equal 26997.6228949697/(1*1*${_u_distance})
variable      V0_metal equal 26997.6228949697/(1*1*1)
variable      V0_metal_times1000 equal ${V0_metal}*1000
variable      V0_metal_times1000 equal 26997.6228949697*1000

print "Initial system volume: ${V0_metal} Angstroms^3"
Initial system volume: 26997.6228949697 Angstroms^3

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

variable temp_converted equal 333.15*${_u_temperature}
variable temp_converted equal 333.15*1
variable Tdamp_converted equal 0.1*${_u_time}
variable Tdamp_converted equal 0.1*1
variable press_converted equal 0.0*${_u_pressure}
variable press_converted equal 0.0*1
variable Pdamp_converted equal 1*${_u_time}
variable Pdamp_converted equal 1*1

# create initial velocities consistent with the chosen temperature
velocity      all create ${temp_converted} 17 mom yes rot yes
velocity      all create 333.15 17 mom yes rot yes

# set NPT ensemble for all atoms
fix           ensemble all npt temp ${temp_converted} ${temp_converted} ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 333.15 ${temp_converted} ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 333.15 333.15 ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 333.15 333.15 0.1               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 333.15 333.15 0.1               iso 0 ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 333.15 333.15 0.1               iso 0 0 ${Pdamp_converted}
fix           ensemble all npt temp 333.15 333.15 0.1               iso 0 0 1

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

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

# set error bounds for temperature and pressure in original metal units (K and bar)
variable      T_low equal  "333.15 - 0.2"
variable      T_up  equal  "333.15 + 0.2"
variable      P_low equal  "0.0 - 0.2"
variable      P_up  equal  "0.0 + 0.2"

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

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

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

Your simulation uses code contributions which should be cited:

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

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

- OpenKIM potential: https://openkim.org/cite/MO_744610363128_002#item-citation

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

Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
         0  -10513.917     -10513.917     -10600         -10600          333.15         333.15         26997.623      26997.623      3405.7588      3405.7588    
      1000  -10428.404     -10428.404     -10511.127     -10511.127      320.1435       320.1435       27161.464      27161.464      2368.4193      2368.4193    
Loop time of 47.6334 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.814 ns/day, 13.232 hours/ns, 20.994 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 47.551     | 47.551     | 47.551     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.016142   | 0.016142   | 0.016142   |   0.0 |  0.03
Output  | 0.00012233 | 0.00012233 | 0.00012233 |   0.0 |  0.00
Modify  | 0.060774   | 0.060774   | 0.060774   |   0.0 |  0.13
Other   |            | 0.00568    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       224000 ave      224000 max      224000 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224000
Ave neighs/atom = 112
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
      1000  -10428.404     -10428.404     -10511.127     -10511.127      320.1435       320.1435       27161.464      27161.464      2368.4193      2368.4193    
      2000  -10426.666     -10426.666     -10507.51      -10507.51       312.87366      312.87366      27197.447      27197.447      381.47547      381.47547    
Loop time of 49.3836 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.750 ns/day, 13.718 hours/ns, 20.250 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.304     | 49.304     | 49.304     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014951   | 0.014951   | 0.014951   |   0.0 |  0.03
Output  | 6.1045e-05 | 6.1045e-05 | 6.1045e-05 |   0.0 |  0.00
Modify  | 0.059542   | 0.059542   | 0.059542   |   0.0 |  0.12
Other   |            | 0.005349   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223772 ave      223772 max      223772 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223772
Ave neighs/atom = 111.886
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
      2000  -10426.666     -10426.666     -10507.51      -10507.51       312.87366      312.87366      27197.447      27197.447      381.47547      381.47547    
      3000  -10430.337     -10430.337     -10520.776     -10520.776      350.00963      350.00963      27208.18       27208.18      -976.67681     -976.67681    
Loop time of 49.3607 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.750 ns/day, 13.711 hours/ns, 20.259 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.281     | 49.281     | 49.281     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015037   | 0.015037   | 0.015037   |   0.0 |  0.03
Output  | 0.00016346 | 0.00016346 | 0.00016346 |   0.0 |  0.00
Modify  | 0.059613   | 0.059613   | 0.059613   |   0.0 |  0.12
Other   |            | 0.005322   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223650 ave      223650 max      223650 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223650
Ave neighs/atom = 111.825
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
      3000  -10430.337     -10430.337     -10520.776     -10520.776      350.00963      350.00963      27208.18       27208.18      -976.67681     -976.67681    
      4000  -10425.745     -10425.745     -10514.626     -10514.626      343.97705      343.97705      27221.81       27221.81      -1007.9697     -1007.9697    
Loop time of 49.5239 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.745 ns/day, 13.757 hours/ns, 20.192 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.442     | 49.442     | 49.442     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015501   | 0.015501   | 0.015501   |   0.0 |  0.03
Output  | 6.6646e-05 | 6.6646e-05 | 6.6646e-05 |   0.0 |  0.00
Modify  | 0.060428   | 0.060428   | 0.060428   |   0.0 |  0.12
Other   |            | 0.005986   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223800 ave      223800 max      223800 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223800
Ave neighs/atom = 111.9
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
      4000  -10425.745     -10425.745     -10514.626     -10514.626      343.97705      343.97705      27221.81       27221.81      -1007.9697     -1007.9697    
      5000  -10430.61      -10430.61      -10519.178     -10519.178      342.76362      342.76362      27230.895      27230.895     -2250.3256     -2250.3256    
Loop time of 49.4225 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.748 ns/day, 13.728 hours/ns, 20.234 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.341     | 49.341     | 49.341     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015319   | 0.015319   | 0.015319   |   0.0 |  0.03
Output  | 4.2791e-05 | 4.2791e-05 | 4.2791e-05 |   0.0 |  0.00
Modify  | 0.060416   | 0.060416   | 0.060416   |   0.0 |  0.12
Other   |            | 0.005473   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223778 ave      223778 max      223778 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223778
Ave neighs/atom = 111.889
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 330.305235179797, Press = -14.665344555151
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
      5000  -10430.61      -10430.61      -10519.178     -10519.178      342.76362      342.76362      27230.895      27230.895     -2250.3256     -2250.3256    
      6000  -10426.945     -10426.945     -10513.807     -10513.807      336.1631       336.1631       27245.878      27245.878     -2281.3547     -2281.3547    
Loop time of 49.4319 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.748 ns/day, 13.731 hours/ns, 20.230 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.349     | 49.349     | 49.349     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015218   | 0.015218   | 0.015218   |   0.0 |  0.03
Output  | 4.264e-05  | 4.264e-05  | 4.264e-05  |   0.0 |  0.00
Modify  | 0.062443   | 0.062443   | 0.062443   |   0.0 |  0.13
Other   |            | 0.005387   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223768 ave      223768 max      223768 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223768
Ave neighs/atom = 111.884
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.313907493826, Press = 46.2617082643868
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
      6000  -10426.945     -10426.945     -10513.807     -10513.807      336.1631       336.1631       27245.878      27245.878     -2281.3547     -2281.3547    
      7000  -10428.206     -10428.206     -10510.998     -10510.998      320.41428      320.41428      27217.246      27217.246     -761.61693     -761.61693    
Loop time of 49.4182 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.748 ns/day, 13.727 hours/ns, 20.235 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.333     | 49.333     | 49.333     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.016202   | 0.016202   | 0.016202   |   0.0 |  0.03
Output  | 9.2183e-05 | 9.2183e-05 | 9.2183e-05 |   0.0 |  0.00
Modify  | 0.063317   | 0.063317   | 0.063317   |   0.0 |  0.13
Other   |            | 0.00558    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223762 ave      223762 max      223762 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223762
Ave neighs/atom = 111.881
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.634092840079, Press = 55.1934163978403
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
      7000  -10428.206     -10428.206     -10510.998     -10510.998      320.41428      320.41428      27217.246      27217.246     -761.61693     -761.61693    
      8000  -10426.546     -10426.546     -10514.622     -10514.622      340.86152      340.86152      27189.43       27189.43       613.72949      613.72949    
Loop time of 49.4785 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.746 ns/day, 13.744 hours/ns, 20.211 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.395     | 49.395     | 49.395     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015599   | 0.015599   | 0.015599   |   0.0 |  0.03
Output  | 3.9905e-05 | 3.9905e-05 | 3.9905e-05 |   0.0 |  0.00
Modify  | 0.062802   | 0.062802   | 0.062802   |   0.0 |  0.13
Other   |            | 0.0055     |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223732 ave      223732 max      223732 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223732
Ave neighs/atom = 111.866
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.152469602088, Press = 21.6680279535073
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
      8000  -10426.546     -10426.546     -10514.622     -10514.622      340.86152      340.86152      27189.43       27189.43       613.72949      613.72949    
      9000  -10427.358     -10427.358     -10512.894     -10512.894      331.03182      331.03182      27180.033      27180.033      1338.4169      1338.4169    
Loop time of 49.5272 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.744 ns/day, 13.758 hours/ns, 20.191 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.443     | 49.443     | 49.443     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015722   | 0.015722   | 0.015722   |   0.0 |  0.03
Output  | 4.0947e-05 | 4.0947e-05 | 4.0947e-05 |   0.0 |  0.00
Modify  | 0.062992   | 0.062992   | 0.062992   |   0.0 |  0.13
Other   |            | 0.005487   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223802 ave      223802 max      223802 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223802
Ave neighs/atom = 111.901
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.964079044847, Press = 7.61530490967251
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
      9000  -10427.358     -10427.358     -10512.894     -10512.894      331.03182      331.03182      27180.033      27180.033      1338.4169      1338.4169    
     10000  -10432.759     -10432.759     -10518.003     -10518.003      329.9          329.9          27167.349      27167.349      1521.4061      1521.4061    
Loop time of 49.4245 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.748 ns/day, 13.729 hours/ns, 20.233 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.341     | 49.341     | 49.341     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015496   | 0.015496   | 0.015496   |   0.0 |  0.03
Output  | 3.8793e-05 | 3.8793e-05 | 3.8793e-05 |   0.0 |  0.00
Modify  | 0.062708   | 0.062708   | 0.062708   |   0.0 |  0.13
Other   |            | 0.005468   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223762 ave      223762 max      223762 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223762
Ave neighs/atom = 111.881
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.635353848265, Press = 2.78286608046235
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     10000  -10432.759     -10432.759     -10518.003     -10518.003      329.9          329.9          27167.349      27167.349      1521.4061      1521.4061    
     11000  -10427.295     -10427.295     -10514.407     -10514.407      337.13082      337.13082      27177.129      27177.129      1376.5756      1376.5756    
Loop time of 49.4371 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.748 ns/day, 13.733 hours/ns, 20.228 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.352     | 49.352     | 49.352     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.016092   | 0.016092   | 0.016092   |   0.0 |  0.03
Output  | 4.1407e-05 | 4.1407e-05 | 4.1407e-05 |   0.0 |  0.00
Modify  | 0.063511   | 0.063511   | 0.063511   |   0.0 |  0.13
Other   |            | 0.005651   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223836 ave      223836 max      223836 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223836
Ave neighs/atom = 111.918
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.438868720837, Press = -2.08457195523102
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     11000  -10427.295     -10427.295     -10514.407     -10514.407      337.13082      337.13082      27177.129      27177.129      1376.5756      1376.5756    
     12000  -10432.61      -10432.61      -10517.283     -10517.283      327.69381      327.69381      27192.616      27192.616      262.77794      262.77794    
Loop time of 49.4829 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.746 ns/day, 13.745 hours/ns, 20.209 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.399     | 49.399     | 49.399     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015474   | 0.015474   | 0.015474   |   0.0 |  0.03
Output  | 4.4994e-05 | 4.4994e-05 | 4.4994e-05 |   0.0 |  0.00
Modify  | 0.062583   | 0.062583   | 0.062583   |   0.0 |  0.13
Other   |            | 0.005416   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223804 ave      223804 max      223804 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223804
Ave neighs/atom = 111.902
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.168057281508, Press = -9.22641442099498
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     12000  -10432.61      -10432.61      -10517.283     -10517.283      327.69381      327.69381      27192.616      27192.616      262.77794      262.77794    
     13000  -10426.661     -10426.661     -10511.07      -10511.07       326.66989      326.66989      27242.985      27242.985     -2182.8051     -2182.8051    
Loop time of 49.5385 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.744 ns/day, 13.761 hours/ns, 20.186 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.455     | 49.455     | 49.455     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015364   | 0.015364   | 0.015364   |   0.0 |  0.03
Output  | 3.9946e-05 | 3.9946e-05 | 3.9946e-05 |   0.0 |  0.00
Modify  | 0.062612   | 0.062612   | 0.062612   |   0.0 |  0.13
Other   |            | 0.005391   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223798 ave      223798 max      223798 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223798
Ave neighs/atom = 111.899
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.221445643079, Press = -11.2411528495516
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     13000  -10426.661     -10426.661     -10511.07      -10511.07       326.66989      326.66989      27242.985      27242.985     -2182.8051     -2182.8051    
     14000  -10427.057     -10427.057     -10511.909     -10511.909      328.38843      328.38843      27243.948      27243.948     -2334.9426     -2334.9426    
Loop time of 49.5883 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.742 ns/day, 13.775 hours/ns, 20.166 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.506     | 49.506     | 49.506     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015153   | 0.015153   | 0.015153   |   0.0 |  0.03
Output  | 0.00012016 | 0.00012016 | 0.00012016 |   0.0 |  0.00
Modify  | 0.062178   | 0.062178   | 0.062178   |   0.0 |  0.13
Other   |            | 0.005331   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223750 ave      223750 max      223750 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223750
Ave neighs/atom = 111.875
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.144658097215, Press = -0.705365457911242
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     14000  -10427.057     -10427.057     -10511.909     -10511.909      328.38843      328.38843      27243.948      27243.948     -2334.9426     -2334.9426    
     15000  -10427.095     -10427.095     -10513.571     -10513.571      334.67397      334.67397      27216.472      27216.472     -830.92697     -830.92697    
Loop time of 49.4858 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.746 ns/day, 13.746 hours/ns, 20.208 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.404     | 49.404     | 49.404     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014999   | 0.014999   | 0.014999   |   0.0 |  0.03
Output  | 4.1468e-05 | 4.1468e-05 | 4.1468e-05 |   0.0 |  0.00
Modify  | 0.061944   | 0.061944   | 0.061944   |   0.0 |  0.13
Other   |            | 0.005323   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223686 ave      223686 max      223686 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223686
Ave neighs/atom = 111.843
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 331.973456223838, Press = 2.15317445692073
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     15000  -10427.095     -10427.095     -10513.571     -10513.571      334.67397      334.67397      27216.472      27216.472     -830.92697     -830.92697    
     16000  -10423.385     -10423.385     -10509.162     -10509.162      331.9644       331.9644       27217.823      27217.823     -569.7312      -569.7312     
Loop time of 49.4999 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.745 ns/day, 13.750 hours/ns, 20.202 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.418     | 49.418     | 49.418     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015059   | 0.015059   | 0.015059   |   0.0 |  0.03
Output  | 4.3221e-05 | 4.3221e-05 | 4.3221e-05 |   0.0 |  0.00
Modify  | 0.061912   | 0.061912   | 0.061912   |   0.0 |  0.13
Other   |            | 0.005337   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223758 ave      223758 max      223758 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223758
Ave neighs/atom = 111.879
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.057162543804, Press = 3.43358571819468
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     16000  -10423.385     -10423.385     -10509.162     -10509.162      331.9644       331.9644       27217.823      27217.823     -569.7312      -569.7312     
     17000  -10428.668     -10428.668     -10512.31      -10512.31       323.70646      323.70646      27198.232      27198.232      145.5777       145.5777     
Loop time of 49.5481 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.744 ns/day, 13.763 hours/ns, 20.182 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.466     | 49.466     | 49.466     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01501    | 0.01501    | 0.01501    |   0.0 |  0.03
Output  | 5.8921e-05 | 5.8921e-05 | 5.8921e-05 |   0.0 |  0.00
Modify  | 0.061852   | 0.061852   | 0.061852   |   0.0 |  0.12
Other   |            | 0.005315   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223678 ave      223678 max      223678 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223678
Ave neighs/atom = 111.839
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.390862835413, Press = 4.58776960159543
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     17000  -10428.668     -10428.668     -10512.31      -10512.31       323.70646      323.70646      27198.232      27198.232      145.5777       145.5777     
     18000  -10426.252     -10426.252     -10514.77      -10514.77       342.57432      342.57432      27173.229      27173.229      1619.4407      1619.4407    
Loop time of 49.5432 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.744 ns/day, 13.762 hours/ns, 20.184 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.461     | 49.461     | 49.461     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014952   | 0.014952   | 0.014952   |   0.0 |  0.03
Output  | 5.7678e-05 | 5.7678e-05 | 5.7678e-05 |   0.0 |  0.00
Modify  | 0.061797   | 0.061797   | 0.061797   |   0.0 |  0.12
Other   |            | 0.005299   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223738 ave      223738 max      223738 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223738
Ave neighs/atom = 111.869
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.537636560997, Press = 6.526149272745
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     18000  -10426.252     -10426.252     -10514.77      -10514.77       342.57432      342.57432      27173.229      27173.229      1619.4407      1619.4407    
     19000  -10429.848     -10429.848     -10516.833     -10516.833      336.64371      336.64371      27143.543      27143.543      3100.8534      3100.8534    
Loop time of 49.554 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.744 ns/day, 13.765 hours/ns, 20.180 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.472     | 49.472     | 49.472     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015      | 0.015      | 0.015      |   0.0 |  0.03
Output  | 3.7851e-05 | 3.7851e-05 | 3.7851e-05 |   0.0 |  0.00
Modify  | 0.061857   | 0.061857   | 0.061857   |   0.0 |  0.12
Other   |            | 0.005296   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223770 ave      223770 max      223770 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223770
Ave neighs/atom = 111.885
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.326554593133, Press = 3.66505651093945
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     19000  -10429.848     -10429.848     -10516.833     -10516.833      336.64371      336.64371      27143.543      27143.543      3100.8534      3100.8534    
     20000  -10427.649     -10427.649     -10514.2       -10514.2        334.96394      334.96394      27158.602      27158.602      2394.3828      2394.3828    
Loop time of 49.5525 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.744 ns/day, 13.765 hours/ns, 20.181 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.47      | 49.47      | 49.47      |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015114   | 0.015114   | 0.015114   |   0.0 |  0.03
Output  | 3.5286e-05 | 3.5286e-05 | 3.5286e-05 |   0.0 |  0.00
Modify  | 0.061772   | 0.061772   | 0.061772   |   0.0 |  0.12
Other   |            | 0.005313   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223816 ave      223816 max      223816 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223816
Ave neighs/atom = 111.908
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.35861901981, Press = 0.232434238657888
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     20000  -10427.649     -10427.649     -10514.2       -10514.2        334.96394      334.96394      27158.602      27158.602      2394.3828      2394.3828    
     21000  -10428.894     -10428.894     -10512.638     -10512.638      324.09813      324.09813      27182.496      27182.496      1008.8635      1008.8635    
Loop time of 49.6379 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.741 ns/day, 13.788 hours/ns, 20.146 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.556     | 49.556     | 49.556     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014957   | 0.014957   | 0.014957   |   0.0 |  0.03
Output  | 5.6296e-05 | 5.6296e-05 | 5.6296e-05 |   0.0 |  0.00
Modify  | 0.061893   | 0.061893   | 0.061893   |   0.0 |  0.12
Other   |            | 0.005299   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223814 ave      223814 max      223814 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223814
Ave neighs/atom = 111.907
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.289170778894, Press = -1.84041553577924
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     21000  -10428.894     -10428.894     -10512.638     -10512.638      324.09813      324.09813      27182.496      27182.496      1008.8635      1008.8635    
     22000  -10427.504     -10427.504     -10511.514     -10511.514      325.12719      325.12719      27209.418      27209.418     -351.79374     -351.79374    
Loop time of 49.5392 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.744 ns/day, 13.761 hours/ns, 20.186 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.457     | 49.457     | 49.457     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014932   | 0.014932   | 0.014932   |   0.0 |  0.03
Output  | 4.789e-05  | 4.789e-05  | 4.789e-05  |   0.0 |  0.00
Modify  | 0.061734   | 0.061734   | 0.061734   |   0.0 |  0.12
Other   |            | 0.005311   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223732 ave      223732 max      223732 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223732
Ave neighs/atom = 111.866
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.28415296887, Press = -2.02310206108686
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     22000  -10427.504     -10427.504     -10511.514     -10511.514      325.12719      325.12719      27209.418      27209.418     -351.79374     -351.79374    
     23000  -10435.235     -10435.235     -10518.788     -10518.788      323.35928      323.35928      27218.321      27218.321     -1418.1933     -1418.1933    
Loop time of 49.3728 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.750 ns/day, 13.715 hours/ns, 20.254 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.291     | 49.291     | 49.291     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01496    | 0.01496    | 0.01496    |   0.0 |  0.03
Output  | 5.303e-05  | 5.303e-05  | 5.303e-05  |   0.0 |  0.00
Modify  | 0.061823   | 0.061823   | 0.061823   |   0.0 |  0.13
Other   |            | 0.005297   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223740 ave      223740 max      223740 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223740
Ave neighs/atom = 111.87
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.22016586802, Press = -1.0593177475904
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     23000  -10435.235     -10435.235     -10518.788     -10518.788      323.35928      323.35928      27218.321      27218.321     -1418.1933     -1418.1933    
     24000  -10427.918     -10427.918     -10515.636     -10515.636      339.47437      339.47437      27247.153      27247.153     -2747.2889     -2747.2889    
Loop time of 49.6156 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.741 ns/day, 13.782 hours/ns, 20.155 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.533     | 49.533     | 49.533     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014937   | 0.014937   | 0.014937   |   0.0 |  0.03
Output  | 6.2187e-05 | 6.2187e-05 | 6.2187e-05 |   0.0 |  0.00
Modify  | 0.06183    | 0.06183    | 0.06183    |   0.0 |  0.12
Other   |            | 0.005308   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223846 ave      223846 max      223846 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223846
Ave neighs/atom = 111.923
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.130912873045, Press = 0.972984444601317
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     24000  -10427.918     -10427.918     -10515.636     -10515.636      339.47437      339.47437      27247.153      27247.153     -2747.2889     -2747.2889    
     25000  -10428.753     -10428.753     -10512.993     -10512.993      326.01732      326.01732      27249.781      27249.781     -2725.9899     -2725.9899    
Loop time of 49.5689 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.743 ns/day, 13.769 hours/ns, 20.174 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.487     | 49.487     | 49.487     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015043   | 0.015043   | 0.015043   |   0.0 |  0.03
Output  | 4.0897e-05 | 4.0897e-05 | 4.0897e-05 |   0.0 |  0.00
Modify  | 0.061813   | 0.061813   | 0.061813   |   0.0 |  0.12
Other   |            | 0.005298   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223738 ave      223738 max      223738 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223738
Ave neighs/atom = 111.869
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.183330265755, Press = 4.82635585341759
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     25000  -10428.753     -10428.753     -10512.993     -10512.993      326.01732      326.01732      27249.781      27249.781     -2725.9899     -2725.9899    
     26000  -10424.896     -10424.896     -10512.072     -10512.072      337.38018      337.38018      27202.512      27202.512      120.02859      120.02859    
Loop time of 49.5813 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.743 ns/day, 13.773 hours/ns, 20.169 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.499     | 49.499     | 49.499     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014912   | 0.014912   | 0.014912   |   0.0 |  0.03
Output  | 3.4155e-05 | 3.4155e-05 | 3.4155e-05 |   0.0 |  0.00
Modify  | 0.06178    | 0.06178    | 0.06178    |   0.0 |  0.12
Other   |            | 0.005268   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223734 ave      223734 max      223734 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223734
Ave neighs/atom = 111.867
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.272233054615, Press = 5.82180971321993
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     26000  -10424.896     -10424.896     -10512.072     -10512.072      337.38018      337.38018      27202.512      27202.512      120.02859      120.02859    
     27000  -10431.41      -10431.41      -10516.88      -10516.88       330.77839      330.77839      27181.746      27181.746      751.06978      751.06978    
Loop time of 49.4397 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.748 ns/day, 13.733 hours/ns, 20.227 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.358     | 49.358     | 49.358     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01491    | 0.01491    | 0.01491    |   0.0 |  0.03
Output  | 6.0163e-05 | 6.0163e-05 | 6.0163e-05 |   0.0 |  0.00
Modify  | 0.061774   | 0.061774   | 0.061774   |   0.0 |  0.12
Other   |            | 0.005292   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223752 ave      223752 max      223752 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223752
Ave neighs/atom = 111.876
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.272350493974, Press = 2.57865926311645
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     27000  -10431.41      -10431.41      -10516.88      -10516.88       330.77839      330.77839      27181.746      27181.746      751.06978      751.06978    
     28000  -10426.768     -10426.768     -10513.993     -10513.993      337.57054      337.57054      27178.223      27178.223      1308.264       1308.264     
Loop time of 49.54 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.744 ns/day, 13.761 hours/ns, 20.186 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.458     | 49.458     | 49.458     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014971   | 0.014971   | 0.014971   |   0.0 |  0.03
Output  | 5.7438e-05 | 5.7438e-05 | 5.7438e-05 |   0.0 |  0.00
Modify  | 0.061844   | 0.061844   | 0.061844   |   0.0 |  0.12
Other   |            | 0.005325   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223808 ave      223808 max      223808 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223808
Ave neighs/atom = 111.904
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.180242268489, Press = 1.54819738163131
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     28000  -10426.768     -10426.768     -10513.993     -10513.993      337.57054      337.57054      27178.223      27178.223      1308.264       1308.264     
     29000  -10430.094     -10430.094     -10515.54      -10515.54       330.68543      330.68543      27172.327      27172.327      1432.1395      1432.1395    
Loop time of 49.4911 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.746 ns/day, 13.748 hours/ns, 20.206 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.409     | 49.409     | 49.409     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014942   | 0.014942   | 0.014942   |   0.0 |  0.03
Output  | 4.793e-05  | 4.793e-05  | 4.793e-05  |   0.0 |  0.00
Modify  | 0.061816   | 0.061816   | 0.061816   |   0.0 |  0.12
Other   |            | 0.005334   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223766 ave      223766 max      223766 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223766
Ave neighs/atom = 111.883
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.178482978037, Press = 0.154473692903571
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     29000  -10430.094     -10430.094     -10515.54      -10515.54       330.68543      330.68543      27172.327      27172.327      1432.1395      1432.1395    
     30000  -10428.548     -10428.548     -10516.852     -10516.852      341.74759      341.74759      27176.215      27176.215      1274.3252      1274.3252    
Loop time of 49.5317 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.744 ns/day, 13.759 hours/ns, 20.189 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.45      | 49.45      | 49.45      |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015005   | 0.015005   | 0.015005   |   0.0 |  0.03
Output  | 3.8021e-05 | 3.8021e-05 | 3.8021e-05 |   0.0 |  0.00
Modify  | 0.061811   | 0.061811   | 0.061811   |   0.0 |  0.12
Other   |            | 0.005283   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223764 ave      223764 max      223764 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223764
Ave neighs/atom = 111.882
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.057191458927, Press = -2.53010306046163
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     30000  -10428.548     -10428.548     -10516.852     -10516.852      341.74759      341.74759      27176.215      27176.215      1274.3252      1274.3252    
     31000  -10427.869     -10427.869     -10513.396     -10513.396      330.99905      330.99905      27223.125      27223.125     -1274.1256     -1274.1256    
Loop time of 49.4607 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.747 ns/day, 13.739 hours/ns, 20.218 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.379     | 49.379     | 49.379     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015002   | 0.015002   | 0.015002   |   0.0 |  0.03
Output  | 4.0647e-05 | 4.0647e-05 | 4.0647e-05 |   0.0 |  0.00
Modify  | 0.061748   | 0.061748   | 0.061748   |   0.0 |  0.12
Other   |            | 0.005322   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223762 ave      223762 max      223762 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223762
Ave neighs/atom = 111.881
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.07407970494, Press = -3.24365735831873
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     31000  -10427.869     -10427.869     -10513.396     -10513.396      330.99905      330.99905      27223.125      27223.125     -1274.1256     -1274.1256    
     32000  -10428.727     -10428.727     -10513.05      -10513.05       326.34229      326.34229      27237.628      27237.628     -1989.0363     -1989.0363    
Loop time of 49.5555 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.743 ns/day, 13.765 hours/ns, 20.179 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.474     | 49.474     | 49.474     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014903   | 0.014903   | 0.014903   |   0.0 |  0.03
Output  | 3.4485e-05 | 3.4485e-05 | 3.4485e-05 |   0.0 |  0.00
Modify  | 0.06171    | 0.06171    | 0.06171    |   0.0 |  0.12
Other   |            | 0.005313   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223724 ave      223724 max      223724 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223724
Ave neighs/atom = 111.862
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.049697939413, Press = -0.385180530451296
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     32000  -10428.727     -10428.727     -10513.05      -10513.05       326.34229      326.34229      27237.628      27237.628     -1989.0363     -1989.0363    
     33000  -10427.15      -10427.15      -10514.891     -10514.891      339.56846      339.56846      27238.8        27238.8       -2143.3531     -2143.3531    
Loop time of 49.4589 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.747 ns/day, 13.739 hours/ns, 20.219 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.377     | 49.377     | 49.377     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015035   | 0.015035   | 0.015035   |   0.0 |  0.03
Output  | 5.859e-05  | 5.859e-05  | 5.859e-05  |   0.0 |  0.00
Modify  | 0.061782   | 0.061782   | 0.061782   |   0.0 |  0.12
Other   |            | 0.005304   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223728 ave      223728 max      223728 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223728
Ave neighs/atom = 111.864
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.120750065801, Press = 1.15871939451522
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     33000  -10427.15      -10427.15      -10514.891     -10514.891      339.56846      339.56846      27238.8        27238.8       -2143.3531     -2143.3531    
     34000  -10428.664     -10428.664     -10513.202     -10513.202      327.17278      327.17278      27230.899      27230.899     -1579.0152     -1579.0152    
Loop time of 49.4673 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.747 ns/day, 13.741 hours/ns, 20.215 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.385     | 49.385     | 49.385     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015071   | 0.015071   | 0.015071   |   0.0 |  0.03
Output  | 5.852e-05  | 5.852e-05  | 5.852e-05  |   0.0 |  0.00
Modify  | 0.061796   | 0.061796   | 0.061796   |   0.0 |  0.12
Other   |            | 0.00531    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223726 ave      223726 max      223726 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223726
Ave neighs/atom = 111.863
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.108732558195, Press = 2.31832429835541
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     34000  -10428.664     -10428.664     -10513.202     -10513.202      327.17278      327.17278      27230.899      27230.899     -1579.0152     -1579.0152    
     35000  -10430.981     -10430.981     -10515.209     -10515.209      325.97063      325.97063      27209.106      27209.106     -536.82922     -536.82922    
Loop time of 49.4447 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.747 ns/day, 13.735 hours/ns, 20.225 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.363     | 49.363     | 49.363     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015031   | 0.015031   | 0.015031   |   0.0 |  0.03
Output  | 5.8329e-05 | 5.8329e-05 | 5.8329e-05 |   0.0 |  0.00
Modify  | 0.061763   | 0.061763   | 0.061763   |   0.0 |  0.12
Other   |            | 0.005317   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223774 ave      223774 max      223774 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223774
Ave neighs/atom = 111.887
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.08413313197, Press = 2.9375588437075
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     35000  -10430.981     -10430.981     -10515.209     -10515.209      325.97063      325.97063      27209.106      27209.106     -536.82922     -536.82922    
     36000  -10426.442     -10426.442     -10514.506     -10514.506      340.8201       340.8201       27189.61       27189.61       777.04535      777.04535    
Loop time of 49.4407 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.748 ns/day, 13.734 hours/ns, 20.226 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.359     | 49.359     | 49.359     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01494    | 0.01494    | 0.01494    |   0.0 |  0.03
Output  | 3.9895e-05 | 3.9895e-05 | 3.9895e-05 |   0.0 |  0.00
Modify  | 0.061747   | 0.061747   | 0.061747   |   0.0 |  0.12
Other   |            | 0.005294   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223766 ave      223766 max      223766 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223766
Ave neighs/atom = 111.883
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.0462608152, Press = 2.60118378010588
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     36000  -10426.442     -10426.442     -10514.506     -10514.506      340.8201       340.8201       27189.61       27189.61       777.04535      777.04535    
     37000  -10429.701     -10429.701     -10514.326     -10514.326      327.50753      327.50753      27176.152      27176.152      1414.656       1414.656     
Loop time of 49.3938 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.749 ns/day, 13.721 hours/ns, 20.245 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.312     | 49.312     | 49.312     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015      | 0.015      | 0.015      |   0.0 |  0.03
Output  | 3.6258e-05 | 3.6258e-05 | 3.6258e-05 |   0.0 |  0.00
Modify  | 0.061732   | 0.061732   | 0.061732   |   0.0 |  0.12
Other   |            | 0.005244   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223798 ave      223798 max      223798 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223798
Ave neighs/atom = 111.899
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.034414261298, Press = 1.58772619229403
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     37000  -10429.701     -10429.701     -10514.326     -10514.326      327.50753      327.50753      27176.152      27176.152      1414.656       1414.656     
     38000  -10425.635     -10425.635     -10513.264     -10513.264      339.13394      339.13394      27176.715      27176.715      1569.5728      1569.5728    
Loop time of 49.4238 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.748 ns/day, 13.729 hours/ns, 20.233 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.342     | 49.342     | 49.342     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014989   | 0.014989   | 0.014989   |   0.0 |  0.03
Output  | 4.1758e-05 | 4.1758e-05 | 4.1758e-05 |   0.0 |  0.00
Modify  | 0.061905   | 0.061905   | 0.061905   |   0.0 |  0.13
Other   |            | 0.005312   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223794 ave      223794 max      223794 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223794
Ave neighs/atom = 111.897
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.052764563212, Press = 0.780854361384371
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     38000  -10425.635     -10425.635     -10513.264     -10513.264      339.13394      339.13394      27176.715      27176.715      1569.5728      1569.5728    
     39000  -10429.898     -10429.898     -10515.807     -10515.807      332.47888      332.47888      27167.997      27167.997      1767.2512      1767.2512    
Loop time of 49.498 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.746 ns/day, 13.749 hours/ns, 20.203 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.416     | 49.416     | 49.416     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014927   | 0.014927   | 0.014927   |   0.0 |  0.03
Output  | 5.6065e-05 | 5.6065e-05 | 5.6065e-05 |   0.0 |  0.00
Modify  | 0.06187    | 0.06187    | 0.06187    |   0.0 |  0.12
Other   |            | 0.005298   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223780 ave      223780 max      223780 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223780
Ave neighs/atom = 111.89
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.097710056631, Press = -0.544849396798932
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     39000  -10429.898     -10429.898     -10515.807     -10515.807      332.47888      332.47888      27167.997      27167.997      1767.2512      1767.2512    
     40000  -10431.439     -10431.439     -10514.28      -10514.28       320.60156      320.60156      27177.917      27177.917      1174.1311      1174.1311    
Loop time of 49.4174 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.748 ns/day, 13.727 hours/ns, 20.236 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.335     | 49.335     | 49.335     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014985   | 0.014985   | 0.014985   |   0.0 |  0.03
Output  | 5.878e-05  | 5.878e-05  | 5.878e-05  |   0.0 |  0.00
Modify  | 0.061765   | 0.061765   | 0.061765   |   0.0 |  0.12
Other   |            | 0.005323   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223824 ave      223824 max      223824 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223824
Ave neighs/atom = 111.912
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.13492704758, Press = -2.17379497573071
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     40000  -10431.439     -10431.439     -10514.28      -10514.28       320.60156      320.60156      27177.917      27177.917      1174.1311      1174.1311    
     41000  -10427.328     -10427.328     -10514.52      -10514.52       337.44199      337.44199      27219.257      27219.257     -931.48994     -931.48994    
Loop time of 49.4375 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.748 ns/day, 13.733 hours/ns, 20.228 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.355     | 49.355     | 49.355     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014881   | 0.014881   | 0.014881   |   0.0 |  0.03
Output  | 5.343e-05  | 5.343e-05  | 5.343e-05  |   0.0 |  0.00
Modify  | 0.061863   | 0.061863   | 0.061863   |   0.0 |  0.13
Other   |            | 0.005418   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223784 ave      223784 max      223784 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223784
Ave neighs/atom = 111.892
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.14940295735, Press = -0.755647824053655
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     41000  -10427.328     -10427.328     -10514.52      -10514.52       337.44199      337.44199      27219.257      27219.257     -931.48994     -931.48994    
     42000  -10429.337     -10429.337     -10514.643     -10514.643      330.14354      330.14354      27218.298      27218.298     -922.32797     -922.32797    
Loop time of 49.3749 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.750 ns/day, 13.715 hours/ns, 20.253 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.292     | 49.292     | 49.292     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015087   | 0.015087   | 0.015087   |   0.0 |  0.03
Output  | 3.6048e-05 | 3.6048e-05 | 3.6048e-05 |   0.0 |  0.00
Modify  | 0.062057   | 0.062057   | 0.062057   |   0.0 |  0.13
Other   |            | 0.005485   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223786 ave      223786 max      223786 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223786
Ave neighs/atom = 111.893
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.232052489486, Press = 0.47720149163237
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     42000  -10429.337     -10429.337     -10514.643     -10514.643      330.14354      330.14354      27218.298      27218.298     -922.32797     -922.32797    
     43000  -10423.423     -10423.423     -10510.929     -10510.929      338.65494      338.65494      27229.698      27229.698     -1305.3767     -1305.3767    
Loop time of 49.3613 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.750 ns/day, 13.711 hours/ns, 20.259 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.279     | 49.279     | 49.279     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014976   | 0.014976   | 0.014976   |   0.0 |  0.03
Output  | 2.4476e-05 | 2.4476e-05 | 2.4476e-05 |   0.0 |  0.00
Modify  | 0.061928   | 0.061928   | 0.061928   |   0.0 |  0.13
Other   |            | 0.005482   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223772 ave      223772 max      223772 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223772
Ave neighs/atom = 111.886
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.313474694498, Press = 0.852741019156647
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     43000  -10423.423     -10423.423     -10510.929     -10510.929      338.65494      338.65494      27229.698      27229.698     -1305.3767     -1305.3767    
     44000  -10428.276     -10428.276     -10513.443     -10513.443      329.60838      329.60838      27221.941      27221.941     -1264.8579     -1264.8579    
Loop time of 49.5244 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.745 ns/day, 13.757 hours/ns, 20.192 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.442     | 49.442     | 49.442     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014991   | 0.014991   | 0.014991   |   0.0 |  0.03
Output  | 3.5857e-05 | 3.5857e-05 | 3.5857e-05 |   0.0 |  0.00
Modify  | 0.061919   | 0.061919   | 0.061919   |   0.0 |  0.13
Other   |            | 0.005455   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223720 ave      223720 max      223720 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223720
Ave neighs/atom = 111.86
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.378858606743, Press = 1.72701141302779
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     44000  -10428.276     -10428.276     -10513.443     -10513.443      329.60838      329.60838      27221.941      27221.941     -1264.8579     -1264.8579    
     45000  -10426.594     -10426.594     -10513.036     -10513.036      334.53688      334.53688      27198.875      27198.875      233.06951      233.06951    
Loop time of 49.4916 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.746 ns/day, 13.748 hours/ns, 20.205 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.409     | 49.409     | 49.409     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014976   | 0.014976   | 0.014976   |   0.0 |  0.03
Output  | 5.7428e-05 | 5.7428e-05 | 5.7428e-05 |   0.0 |  0.00
Modify  | 0.061982   | 0.061982   | 0.061982   |   0.0 |  0.13
Other   |            | 0.005477   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223748 ave      223748 max      223748 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223748
Ave neighs/atom = 111.874
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.462094009058, Press = 3.2911921885393
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     45000  -10426.594     -10426.594     -10513.036     -10513.036      334.53688      334.53688      27198.875      27198.875      233.06951      233.06951    
     46000  -10428.878     -10428.878     -10515.736     -10515.736      336.15063      336.15063      27152.208      27152.208      2767.6578      2767.6578    
Loop time of 49.3523 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.751 ns/day, 13.709 hours/ns, 20.262 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.27      | 49.27      | 49.27      |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014969   | 0.014969   | 0.014969   |   0.0 |  0.03
Output  | 3.6749e-05 | 3.6749e-05 | 3.6749e-05 |   0.0 |  0.00
Modify  | 0.061968   | 0.061968   | 0.061968   |   0.0 |  0.13
Other   |            | 0.005483   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223728 ave      223728 max      223728 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223728
Ave neighs/atom = 111.864
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.464846867069, Press = 2.69993848697491
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     46000  -10428.878     -10428.878     -10515.736     -10515.736      336.15063      336.15063      27152.208      27152.208      2767.6578      2767.6578    
     47000  -10424.836     -10424.836     -10510.022     -10510.022      329.67897      329.67897      27181.663      27181.663      1583.6641      1583.6641    
Loop time of 49.5405 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.744 ns/day, 13.761 hours/ns, 20.186 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.458     | 49.458     | 49.458     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014929   | 0.014929   | 0.014929   |   0.0 |  0.03
Output  | 4.4163e-05 | 4.4163e-05 | 4.4163e-05 |   0.0 |  0.00
Modify  | 0.061983   | 0.061983   | 0.061983   |   0.0 |  0.13
Other   |            | 0.005489   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223824 ave      223824 max      223824 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223824
Ave neighs/atom = 111.912
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.498072903685, Press = 1.204792365723
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     47000  -10424.836     -10424.836     -10510.022     -10510.022      329.67897      329.67897      27181.663      27181.663      1583.6641      1583.6641    
     48000  -10429.486     -10429.486     -10514.094     -10514.094      327.44025      327.44025      27175.588      27175.588      1388.2131      1388.2131    
Loop time of 49.3628 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.750 ns/day, 13.712 hours/ns, 20.258 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.28      | 49.28      | 49.28      |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015015   | 0.015015   | 0.015015   |   0.0 |  0.03
Output  | 4.1568e-05 | 4.1568e-05 | 4.1568e-05 |   0.0 |  0.00
Modify  | 0.061974   | 0.061974   | 0.061974   |   0.0 |  0.13
Other   |            | 0.005475   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223768 ave      223768 max      223768 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223768
Ave neighs/atom = 111.884
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.50990184948, Press = 0.594426516287743
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     48000  -10429.486     -10429.486     -10514.094     -10514.094      327.44025      327.44025      27175.588      27175.588      1388.2131      1388.2131    
     49000  -10427.603     -10427.603     -10512.953     -10512.953      330.31678      330.31678      27179.545      27179.545      1310.9556      1310.9556    
Loop time of 49.4667 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.747 ns/day, 13.741 hours/ns, 20.216 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.384     | 49.384     | 49.384     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014935   | 0.014935   | 0.014935   |   0.0 |  0.03
Output  | 2.8223e-05 | 2.8223e-05 | 2.8223e-05 |   0.0 |  0.00
Modify  | 0.061906   | 0.061906   | 0.061906   |   0.0 |  0.13
Other   |            | 0.005465   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223716 ave      223716 max      223716 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223716
Ave neighs/atom = 111.858
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.533508132259, Press = -0.0290537791384572
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     49000  -10427.603     -10427.603     -10512.953     -10512.953      330.31678      330.31678      27179.545      27179.545      1310.9556      1310.9556    
     50000  -10427.488     -10427.488     -10513.814     -10513.814      334.08884      334.08884      27200.579      27200.579     -9.7261271     -9.7261271    
Loop time of 49.4275 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.748 ns/day, 13.730 hours/ns, 20.232 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.345     | 49.345     | 49.345     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01499    | 0.01499    | 0.01499    |   0.0 |  0.03
Output  | 3.7941e-05 | 3.7941e-05 | 3.7941e-05 |   0.0 |  0.00
Modify  | 0.061994   | 0.061994   | 0.061994   |   0.0 |  0.13
Other   |            | 0.005479   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223742 ave      223742 max      223742 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223742
Ave neighs/atom = 111.871
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.546766494918, Press = -1.12277160646561
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     50000  -10427.488     -10427.488     -10513.814     -10513.814      334.08884      334.08884      27200.579      27200.579     -9.7261271     -9.7261271    
     51000  -10428.162     -10428.162     -10513.068     -10513.068      328.59664      328.59664      27239.145      27239.145     -2199.9202     -2199.9202    
Loop time of 49.4446 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.747 ns/day, 13.735 hours/ns, 20.225 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.362     | 49.362     | 49.362     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014958   | 0.014958   | 0.014958   |   0.0 |  0.03
Output  | 4.5195e-05 | 4.5195e-05 | 4.5195e-05 |   0.0 |  0.00
Modify  | 0.061922   | 0.061922   | 0.061922   |   0.0 |  0.13
Other   |            | 0.005474   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223780 ave      223780 max      223780 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223780
Ave neighs/atom = 111.89
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.577507057358, Press = -1.05877079416223
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     51000  -10428.162     -10428.162     -10513.068     -10513.068      328.59664      328.59664      27239.145      27239.145     -2199.9202     -2199.9202    
     52000  -10428.352     -10428.352     -10514.496     -10514.496      333.38702      333.38702      27228.128      27228.128     -1542.4698     -1542.4698    
Loop time of 49.4285 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.748 ns/day, 13.730 hours/ns, 20.231 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.346     | 49.346     | 49.346     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01505    | 0.01505    | 0.01505    |   0.0 |  0.03
Output  | 0.00011682 | 0.00011682 | 0.00011682 |   0.0 |  0.00
Modify  | 0.06187    | 0.06187    | 0.06187    |   0.0 |  0.13
Other   |            | 0.005479   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223760 ave      223760 max      223760 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223760
Ave neighs/atom = 111.88
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.645959848966, Press = 0.40235016289754
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     52000  -10428.352     -10428.352     -10514.496     -10514.496      333.38702      333.38702      27228.128      27228.128     -1542.4698     -1542.4698    
     53000  -10429.215     -10429.215     -10515.423     -10515.423      333.6318       333.6318       27212.243      27212.243     -879.68607     -879.68607    
Loop time of 49.4865 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.746 ns/day, 13.746 hours/ns, 20.208 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.404     | 49.404     | 49.404     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015091   | 0.015091   | 0.015091   |   0.0 |  0.03
Output  | 4.4814e-05 | 4.4814e-05 | 4.4814e-05 |   0.0 |  0.00
Modify  | 0.061925   | 0.061925   | 0.061925   |   0.0 |  0.13
Other   |            | 0.005454   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223766 ave      223766 max      223766 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223766
Ave neighs/atom = 111.883
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.696839647722, Press = 0.839156998052406
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     53000  -10429.215     -10429.215     -10515.423     -10515.423      333.6318       333.6318       27212.243      27212.243     -879.68607     -879.68607    
     54000  -10425.527     -10425.527     -10511.916     -10511.916      334.33327      334.33327      27213.506      27213.506     -576.74039     -576.74039    
Loop time of 49.3275 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.752 ns/day, 13.702 hours/ns, 20.273 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.245     | 49.245     | 49.245     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015024   | 0.015024   | 0.015024   |   0.0 |  0.03
Output  | 2.7101e-05 | 2.7101e-05 | 2.7101e-05 |   0.0 |  0.00
Modify  | 0.061816   | 0.061816   | 0.061816   |   0.0 |  0.13
Other   |            | 0.005471   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223778 ave      223778 max      223778 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223778
Ave neighs/atom = 111.889
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.75889658826, Press = 1.09198243616425
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     54000  -10425.527     -10425.527     -10511.916     -10511.916      334.33327      334.33327      27213.506      27213.506     -576.74039     -576.74039    
     55000  -10427.529     -10427.529     -10514.546     -10514.546      336.76288      336.76288      27199.849      27199.849     -7.6558846     -7.6558846    
Loop time of 49.5147 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.745 ns/day, 13.754 hours/ns, 20.196 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.432     | 49.432     | 49.432     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015063   | 0.015063   | 0.015063   |   0.0 |  0.03
Output  | 3.7e-05    | 3.7e-05    | 3.7e-05    |   0.0 |  0.00
Modify  | 0.061854   | 0.061854   | 0.061854   |   0.0 |  0.12
Other   |            | 0.005459   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223702 ave      223702 max      223702 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223702
Ave neighs/atom = 111.851
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.783865191387, Press = 1.56107937627948
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     55000  -10427.529     -10427.529     -10514.546     -10514.546      336.76288      336.76288      27199.849      27199.849     -7.6558846     -7.6558846    
     56000  -10429.178     -10429.178     -10514.482     -10514.482      330.13302      330.13302      27166.83       27166.83       1772.2508      1772.2508    
Loop time of 49.5123 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.745 ns/day, 13.753 hours/ns, 20.197 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.43      | 49.43      | 49.43      |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015009   | 0.015009   | 0.015009   |   0.0 |  0.03
Output  | 4.5947e-05 | 4.5947e-05 | 4.5947e-05 |   0.0 |  0.00
Modify  | 0.061843   | 0.061843   | 0.061843   |   0.0 |  0.12
Other   |            | 0.005485   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223770 ave      223770 max      223770 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223770
Ave neighs/atom = 111.885
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.853025910207, Press = 1.97267528554973
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     56000  -10429.178     -10429.178     -10514.482     -10514.482      330.13302      330.13302      27166.83       27166.83       1772.2508      1772.2508    
     57000  -10426.922     -10426.922     -10515.325     -10515.325      342.12593      342.12593      27153.865      27153.865      2580.7294      2580.7294    
Loop time of 49.5059 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.745 ns/day, 13.752 hours/ns, 20.200 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.424     | 49.424     | 49.424     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014946   | 0.014946   | 0.014946   |   0.0 |  0.03
Output  | 5.8179e-05 | 5.8179e-05 | 5.8179e-05 |   0.0 |  0.00
Modify  | 0.061869   | 0.061869   | 0.061869   |   0.0 |  0.12
Other   |            | 0.005476   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223786 ave      223786 max      223786 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223786
Ave neighs/atom = 111.893
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.86124240927, Press = 1.07166644547331
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     57000  -10426.922     -10426.922     -10515.325     -10515.325      342.12593      342.12593      27153.865      27153.865      2580.7294      2580.7294    
     58000  -10429.266     -10429.266     -10514.357     -10514.357      329.31316      329.31316      27165.103      27165.103      1959.8236      1959.8236    
Loop time of 49.4852 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.746 ns/day, 13.746 hours/ns, 20.208 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.403     | 49.403     | 49.403     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014902   | 0.014902   | 0.014902   |   0.0 |  0.03
Output  | 3.6279e-05 | 3.6279e-05 | 3.6279e-05 |   0.0 |  0.00
Modify  | 0.061814   | 0.061814   | 0.061814   |   0.0 |  0.12
Other   |            | 0.005476   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223814 ave      223814 max      223814 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223814
Ave neighs/atom = 111.907
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.834605981969, Press = 0.283742348506621
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     58000  -10429.266     -10429.266     -10514.357     -10514.357      329.31316      329.31316      27165.103      27165.103      1959.8236      1959.8236    
     59000  -10426.049     -10426.049     -10513.616     -10513.616      338.89308      338.89308      27187.394      27187.394      812.69818      812.69818    
Loop time of 49.487 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.746 ns/day, 13.746 hours/ns, 20.207 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.405     | 49.405     | 49.405     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014948   | 0.014948   | 0.014948   |   0.0 |  0.03
Output  | 3.3804e-05 | 3.3804e-05 | 3.3804e-05 |   0.0 |  0.00
Modify  | 0.061915   | 0.061915   | 0.061915   |   0.0 |  0.13
Other   |            | 0.005487   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223760 ave      223760 max      223760 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223760
Ave neighs/atom = 111.88
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.834148982614, Press = -0.258342785958208
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     59000  -10426.049     -10426.049     -10513.616     -10513.616      338.89308      338.89308      27187.394      27187.394      812.69818      812.69818    
     60000  -10428.461     -10428.461     -10514.296     -10514.296      332.19054      332.19054      27211.548      27211.548     -762.75557     -762.75557    
Loop time of 49.5298 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.744 ns/day, 13.758 hours/ns, 20.190 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.447     | 49.447     | 49.447     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014985   | 0.014985   | 0.014985   |   0.0 |  0.03
Output  | 2.9285e-05 | 2.9285e-05 | 2.9285e-05 |   0.0 |  0.00
Modify  | 0.061887   | 0.061887   | 0.061887   |   0.0 |  0.12
Other   |            | 0.00546    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223776 ave      223776 max      223776 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223776
Ave neighs/atom = 111.888
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.832234383223, Press = -0.544275704445072
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     60000  -10428.461     -10428.461     -10514.296     -10514.296      332.19054      332.19054      27211.548      27211.548     -762.75557     -762.75557    
     61000  -10426.396     -10426.396     -10513.822     -10513.822      338.34779      338.34779      27263.907      27263.907     -3504.8796     -3504.8796    
Loop time of 49.4627 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.747 ns/day, 13.740 hours/ns, 20.217 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.38      | 49.38      | 49.38      |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015029   | 0.015029   | 0.015029   |   0.0 |  0.03
Output  | 5.349e-05  | 5.349e-05  | 5.349e-05  |   0.0 |  0.00
Modify  | 0.062007   | 0.062007   | 0.062007   |   0.0 |  0.13
Other   |            | 0.005477   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223750 ave      223750 max      223750 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223750
Ave neighs/atom = 111.875
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.824857552125, Press = -0.773663667141674
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     61000  -10426.396     -10426.396     -10513.822     -10513.822      338.34779      338.34779      27263.907      27263.907     -3504.8796     -3504.8796    
     62000  -10430.737     -10430.737     -10513.487     -10513.487      320.25048      320.25048      27253.45       27253.45      -3082.1022     -3082.1022    
Loop time of 49.6032 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.742 ns/day, 13.779 hours/ns, 20.160 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.521     | 49.521     | 49.521     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014984   | 0.014984   | 0.014984   |   0.0 |  0.03
Output  | 4.0656e-05 | 4.0656e-05 | 4.0656e-05 |   0.0 |  0.00
Modify  | 0.061868   | 0.061868   | 0.061868   |   0.0 |  0.12
Other   |            | 0.005461   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223752 ave      223752 max      223752 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223752
Ave neighs/atom = 111.876
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.781628894123, Press = 0.69989244123183
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     62000  -10430.737     -10430.737     -10513.487     -10513.487      320.25048      320.25048      27253.45       27253.45      -3082.1022     -3082.1022    
     63000  -10428.364     -10428.364     -10513.909     -10513.909      331.0659       331.0659       27223.147      27223.147     -1350.1312     -1350.1312    
Loop time of 49.5583 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.743 ns/day, 13.766 hours/ns, 20.178 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.476     | 49.476     | 49.476     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014963   | 0.014963   | 0.014963   |   0.0 |  0.03
Output  | 3.8072e-05 | 3.8072e-05 | 3.8072e-05 |   0.0 |  0.00
Modify  | 0.061907   | 0.061907   | 0.061907   |   0.0 |  0.12
Other   |            | 0.005468   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223762 ave      223762 max      223762 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223762
Ave neighs/atom = 111.881
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.779544858542, Press = 0.989710186597324
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     63000  -10428.364     -10428.364     -10513.909     -10513.909      331.0659       331.0659       27223.147      27223.147     -1350.1312     -1350.1312    
     64000  -10425.298     -10425.298     -10512.151     -10512.151      336.12835      336.12835      27211.572      27211.572     -525.6823      -525.6823     
Loop time of 49.4882 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.746 ns/day, 13.747 hours/ns, 20.207 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.406     | 49.406     | 49.406     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014948   | 0.014948   | 0.014948   |   0.0 |  0.03
Output  | 5.7388e-05 | 5.7388e-05 | 5.7388e-05 |   0.0 |  0.00
Modify  | 0.061978   | 0.061978   | 0.061978   |   0.0 |  0.13
Other   |            | 0.005487   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223730 ave      223730 max      223730 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223730
Ave neighs/atom = 111.865
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.774155080811, Press = 1.43165309648511
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     64000  -10425.298     -10425.298     -10512.151     -10512.151      336.12835      336.12835      27211.572      27211.572     -525.6823      -525.6823     
     65000  -10428.976     -10428.976     -10514.205     -10514.205      329.84486      329.84486      27174.645      27174.645      1387.7712      1387.7712    
Loop time of 49.3952 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.749 ns/day, 13.721 hours/ns, 20.245 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.313     | 49.313     | 49.313     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015022   | 0.015022   | 0.015022   |   0.0 |  0.03
Output  | 3.2742e-05 | 3.2742e-05 | 3.2742e-05 |   0.0 |  0.00
Modify  | 0.061899   | 0.061899   | 0.061899   |   0.0 |  0.13
Other   |            | 0.005466   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223732 ave      223732 max      223732 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223732
Ave neighs/atom = 111.866
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.809474879929, Press = 1.48356910661245
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     65000  -10428.976     -10428.976     -10514.205     -10514.205      329.84486      329.84486      27174.645      27174.645      1387.7712      1387.7712    
     66000  -10427.268     -10427.268     -10512.81      -10512.81       331.05743      331.05743      27144.598      27144.598      3186.2439      3186.2439    
Loop time of 49.5087 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.745 ns/day, 13.752 hours/ns, 20.198 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.426     | 49.426     | 49.426     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015025   | 0.015025   | 0.015025   |   0.0 |  0.03
Output  | 3.4124e-05 | 3.4124e-05 | 3.4124e-05 |   0.0 |  0.00
Modify  | 0.062063   | 0.062063   | 0.062063   |   0.0 |  0.13
Other   |            | 0.005473   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223748 ave      223748 max      223748 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223748
Ave neighs/atom = 111.874
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.860493490318, Press = 1.20433279581297
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     66000  -10427.268     -10427.268     -10512.81      -10512.81       331.05743      331.05743      27144.598      27144.598      3186.2439      3186.2439    
     67000  -10426.785     -10426.785     -10514.047     -10514.047      337.71243      337.71243      27117.142      27117.142      4865.3802      4865.3802    
Loop time of 49.4852 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.746 ns/day, 13.746 hours/ns, 20.208 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.403     | 49.403     | 49.403     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0151     | 0.0151     | 0.0151     |   0.0 |  0.03
Output  | 3.7271e-05 | 3.7271e-05 | 3.7271e-05 |   0.0 |  0.00
Modify  | 0.061918   | 0.061918   | 0.061918   |   0.0 |  0.13
Other   |            | 0.005491   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223788 ave      223788 max      223788 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223788
Ave neighs/atom = 111.894
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.850204995839, Press = 0.032368273240938
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     67000  -10426.785     -10426.785     -10514.047     -10514.047      337.71243      337.71243      27117.142      27117.142      4865.3802      4865.3802    
     68000  -10427.568     -10427.568     -10514.233     -10514.233      335.39979      335.39979      27183.002      27183.002      963.95317      963.95317    
Loop time of 49.5064 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.745 ns/day, 13.752 hours/ns, 20.199 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.424     | 49.424     | 49.424     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014967   | 0.014967   | 0.014967   |   0.0 |  0.03
Output  | 3.6479e-05 | 3.6479e-05 | 3.6479e-05 |   0.0 |  0.00
Modify  | 0.061939   | 0.061939   | 0.061939   |   0.0 |  0.13
Other   |            | 0.005474   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223808 ave      223808 max      223808 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223808
Ave neighs/atom = 111.904
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.826108310987, Press = -0.0768520953870966
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     68000  -10427.568     -10427.568     -10514.233     -10514.233      335.39979      335.39979      27183.002      27183.002      963.95317      963.95317    
     69000  -10430.315     -10430.315     -10514.539     -10514.539      325.95713      325.95713      27201.937      27201.937     -221.31947     -221.31947    
Loop time of 49.5476 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.744 ns/day, 13.763 hours/ns, 20.183 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.465     | 49.465     | 49.465     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014982   | 0.014982   | 0.014982   |   0.0 |  0.03
Output  | 3.6468e-05 | 3.6468e-05 | 3.6468e-05 |   0.0 |  0.00
Modify  | 0.061885   | 0.061885   | 0.061885   |   0.0 |  0.12
Other   |            | 0.005465   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223830 ave      223830 max      223830 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223830
Ave neighs/atom = 111.915
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.777169132617, Press = -0.00812581437784918
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     69000  -10430.315     -10430.315     -10514.539     -10514.539      325.95713      325.95713      27201.937      27201.937     -221.31947     -221.31947    
     70000  -10427.931     -10427.931     -10512.524     -10512.524      327.38125      327.38125      27223.942      27223.942     -1331.1813     -1331.1813    
Loop time of 49.5425 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.744 ns/day, 13.762 hours/ns, 20.185 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.46      | 49.46      | 49.46      |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014977   | 0.014977   | 0.014977   |   0.0 |  0.03
Output  | 3.6268e-05 | 3.6268e-05 | 3.6268e-05 |   0.0 |  0.00
Modify  | 0.061924   | 0.061924   | 0.061924   |   0.0 |  0.12
Other   |            | 0.005469   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223800 ave      223800 max      223800 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223800
Ave neighs/atom = 111.9
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.7705372753, Press = 0.153493099155424
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     70000  -10427.931     -10427.931     -10512.524     -10512.524      327.38125      327.38125      27223.942      27223.942     -1331.1813     -1331.1813    
     71000  -10427.738     -10427.738     -10514.701     -10514.701      336.55526      336.55526      27245.715      27245.715     -2668.21       -2668.21      
Loop time of 49.6338 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.741 ns/day, 13.787 hours/ns, 20.148 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.551     | 49.551     | 49.551     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015027   | 0.015027   | 0.015027   |   0.0 |  0.03
Output  | 3.5627e-05 | 3.5627e-05 | 3.5627e-05 |   0.0 |  0.00
Modify  | 0.061925   | 0.061925   | 0.061925   |   0.0 |  0.12
Other   |            | 0.005461   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223750 ave      223750 max      223750 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223750
Ave neighs/atom = 111.875
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.742428351821, Press = 0.488579378401409
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     71000  -10427.738     -10427.738     -10514.701     -10514.701      336.55526      336.55526      27245.715      27245.715     -2668.21       -2668.21      
     72000  -10429.576     -10429.576     -10513.582     -10513.582      325.11259      325.11259      27271.524      27271.524     -4054.0404     -4054.0404    
Loop time of 49.6397 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.741 ns/day, 13.789 hours/ns, 20.145 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.557     | 49.557     | 49.557     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014986   | 0.014986   | 0.014986   |   0.0 |  0.03
Output  | 5.7277e-05 | 5.7277e-05 | 5.7277e-05 |   0.0 |  0.00
Modify  | 0.061961   | 0.061961   | 0.061961   |   0.0 |  0.12
Other   |            | 0.005466   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223752 ave      223752 max      223752 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223752
Ave neighs/atom = 111.876
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.76214305362, Press = 1.53483598966788
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     72000  -10429.576     -10429.576     -10513.582     -10513.582      325.11259      325.11259      27271.524      27271.524     -4054.0404     -4054.0404    
     73000  -10424.62      -10424.62      -10512.159     -10512.159      338.78656      338.78656      27215.803      27215.803     -731.16294     -731.16294    
Loop time of 49.5573 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.743 ns/day, 13.766 hours/ns, 20.179 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.475     | 49.475     | 49.475     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014901   | 0.014901   | 0.014901   |   0.0 |  0.03
Output  | 5.1717e-05 | 5.1717e-05 | 5.1717e-05 |   0.0 |  0.00
Modify  | 0.061961   | 0.061961   | 0.061961   |   0.0 |  0.13
Other   |            | 0.00546    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223730 ave      223730 max      223730 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223730
Ave neighs/atom = 111.865
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.81814088354, Press = 1.64686162229253
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     73000  -10424.62      -10424.62      -10512.159     -10512.159      338.78656      338.78656      27215.803      27215.803     -731.16294     -731.16294    
     74000  -10429.177     -10429.177     -10513.237     -10513.237      325.3235       325.3235       27188.398      27188.398      591.92763      591.92763    
Loop time of 49.5768 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.743 ns/day, 13.771 hours/ns, 20.171 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.494     | 49.494     | 49.494     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015025   | 0.015025   | 0.015025   |   0.0 |  0.03
Output  | 5.5935e-05 | 5.5935e-05 | 5.5935e-05 |   0.0 |  0.00
Modify  | 0.061946   | 0.061946   | 0.061946   |   0.0 |  0.12
Other   |            | 0.00547    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223738 ave      223738 max      223738 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223738
Ave neighs/atom = 111.869
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.853762975074, Press = 1.34656553226985
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     74000  -10429.177     -10429.177     -10513.237     -10513.237      325.3235       325.3235       27188.398      27188.398      591.92763      591.92763    
     75000  -10425.448     -10425.448     -10512.25      -10512.25       335.931        335.931        27170.911      27170.911      1912.2217      1912.2217    
Loop time of 49.4334 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.748 ns/day, 13.731 hours/ns, 20.229 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.351     | 49.351     | 49.351     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014983   | 0.014983   | 0.014983   |   0.0 |  0.03
Output  | 5.8009e-05 | 5.8009e-05 | 5.8009e-05 |   0.0 |  0.00
Modify  | 0.061841   | 0.061841   | 0.061841   |   0.0 |  0.13
Other   |            | 0.005468   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223744 ave      223744 max      223744 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223744
Ave neighs/atom = 111.872
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.895038597171, Press = 1.08960765604037
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     75000  -10425.448     -10425.448     -10512.25      -10512.25       335.931        335.931        27170.911      27170.911      1912.2217      1912.2217    
     76000  -10425.493     -10425.493     -10510.984     -10510.984      330.85903      330.85903      27161.462      27161.462      2449.6223      2449.6223    
Loop time of 49.5565 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.743 ns/day, 13.766 hours/ns, 20.179 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.474     | 49.474     | 49.474     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014941   | 0.014941   | 0.014941   |   0.0 |  0.03
Output  | 3.6248e-05 | 3.6248e-05 | 3.6248e-05 |   0.0 |  0.00
Modify  | 0.061877   | 0.061877   | 0.061877   |   0.0 |  0.12
Other   |            | 0.005463   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223772 ave      223772 max      223772 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223772
Ave neighs/atom = 111.886
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.899211958228, Press = 0.686938096775135
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     76000  -10425.493     -10425.493     -10510.984     -10510.984      330.85903      330.85903      27161.462      27161.462      2449.6223      2449.6223    
     77000  -10429.983     -10429.983     -10514.754     -10514.754      328.07287      328.07287      27146.549      27146.549      2864.1958      2864.1958    
Loop time of 49.5221 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.745 ns/day, 13.756 hours/ns, 20.193 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.44      | 49.44      | 49.44      |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01496    | 0.01496    | 0.01496    |   0.0 |  0.03
Output  | 2.4116e-05 | 2.4116e-05 | 2.4116e-05 |   0.0 |  0.00
Modify  | 0.061846   | 0.061846   | 0.061846   |   0.0 |  0.12
Other   |            | 0.005444   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223738 ave      223738 max      223738 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223738
Ave neighs/atom = 111.869
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.910670868047, Press = -0.196008249215523
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     77000  -10429.983     -10429.983     -10514.754     -10514.754      328.07287      328.07287      27146.549      27146.549      2864.1958      2864.1958    
     78000  -10427.847     -10427.847     -10513.138     -10513.138      330.083        330.083        27193.083      27193.083      571.9766       571.9766     
Loop time of 49.4333 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.748 ns/day, 13.731 hours/ns, 20.229 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.351     | 49.351     | 49.351     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014906   | 0.014906   | 0.014906   |   0.0 |  0.03
Output  | 5.3721e-05 | 5.3721e-05 | 5.3721e-05 |   0.0 |  0.00
Modify  | 0.061921   | 0.061921   | 0.061921   |   0.0 |  0.13
Other   |            | 0.005476   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223790 ave      223790 max      223790 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223790
Ave neighs/atom = 111.895
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.873971489073, Press = -0.429017833012297
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     78000  -10427.847     -10427.847     -10513.138     -10513.138      330.083        330.083        27193.083      27193.083      571.9766       571.9766     
     79000  -10431.057     -10431.057     -10514.454     -10514.454      322.75503      322.75503      27206.331      27206.331     -437.71211     -437.71211    
Loop time of 49.553 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.744 ns/day, 13.765 hours/ns, 20.180 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.471     | 49.471     | 49.471     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014932   | 0.014932   | 0.014932   |   0.0 |  0.03
Output  | 5.7308e-05 | 5.7308e-05 | 5.7308e-05 |   0.0 |  0.00
Modify  | 0.061902   | 0.061902   | 0.061902   |   0.0 |  0.12
Other   |            | 0.00549    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223750 ave      223750 max      223750 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223750
Ave neighs/atom = 111.875
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.861999835333, Press = 0.2735669617575
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     79000  -10431.057     -10431.057     -10514.454     -10514.454      322.75503      322.75503      27206.331      27206.331     -437.71211     -437.71211    
     80000  -10427.251     -10427.251     -10513.958     -10513.958      335.56524      335.56524      27218.511      27218.511     -984.79017     -984.79017    
Loop time of 49.5853 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.742 ns/day, 13.774 hours/ns, 20.167 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.503     | 49.503     | 49.503     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014965   | 0.014965   | 0.014965   |   0.0 |  0.03
Output  | 3.6318e-05 | 3.6318e-05 | 3.6318e-05 |   0.0 |  0.00
Modify  | 0.061898   | 0.061898   | 0.061898   |   0.0 |  0.12
Other   |            | 0.005469   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223768 ave      223768 max      223768 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223768
Ave neighs/atom = 111.884
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.862998444524, Press = 0.686081792171382
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     80000  -10427.251     -10427.251     -10513.958     -10513.958      335.56524      335.56524      27218.511      27218.511     -984.79017     -984.79017    
     81000  -10428.145     -10428.145     -10515.205     -10515.205      336.93116      336.93116      27215.118      27215.118     -974.26153     -974.26153    
Loop time of 49.5896 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.742 ns/day, 13.775 hours/ns, 20.166 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.507     | 49.507     | 49.507     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015003   | 0.015003   | 0.015003   |   0.0 |  0.03
Output  | 4.4524e-05 | 4.4524e-05 | 4.4524e-05 |   0.0 |  0.00
Modify  | 0.061926   | 0.061926   | 0.061926   |   0.0 |  0.12
Other   |            | 0.00547    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223752 ave      223752 max      223752 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223752
Ave neighs/atom = 111.876
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.861104361469, Press = 0.939665348262271
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     81000  -10428.145     -10428.145     -10515.205     -10515.205      336.93116      336.93116      27215.118      27215.118     -974.26153     -974.26153    
     82000  -10430.653     -10430.653     -10515.978     -10515.978      330.21569      330.21569      27200.977      27200.977     -240.04607     -240.04607    
Loop time of 49.5653 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.743 ns/day, 13.768 hours/ns, 20.175 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.483     | 49.483     | 49.483     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014954   | 0.014954   | 0.014954   |   0.0 |  0.03
Output  | 3.2691e-05 | 3.2691e-05 | 3.2691e-05 |   0.0 |  0.00
Modify  | 0.061929   | 0.061929   | 0.061929   |   0.0 |  0.12
Other   |            | 0.005458   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223790 ave      223790 max      223790 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223790
Ave neighs/atom = 111.895
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.8651577437, Press = 1.58626501995319
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     82000  -10430.653     -10430.653     -10515.978     -10515.978      330.21569      330.21569      27200.977      27200.977     -240.04607     -240.04607    
     83000  -10425.872     -10425.872     -10513.564     -10513.564      339.37751      339.37751      27171.777      27171.777      1692.646       1692.646     
Loop time of 49.5799 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.743 ns/day, 13.772 hours/ns, 20.169 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.497     | 49.497     | 49.497     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015016   | 0.015016   | 0.015016   |   0.0 |  0.03
Output  | 2.8594e-05 | 2.8594e-05 | 2.8594e-05 |   0.0 |  0.00
Modify  | 0.061896   | 0.061896   | 0.061896   |   0.0 |  0.12
Other   |            | 0.005454   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223762 ave      223762 max      223762 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223762
Ave neighs/atom = 111.881
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.827831209536, Press = 1.56576729172284
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     83000  -10425.872     -10425.872     -10513.564     -10513.564      339.37751      339.37751      27171.777      27171.777      1692.646       1692.646     
     84000  -10430.851     -10430.851     -10515.851     -10515.851      328.95823      328.95823      27154.136      27154.136      2442.9398      2442.9398    
Loop time of 49.5774 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.743 ns/day, 13.771 hours/ns, 20.170 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.495     | 49.495     | 49.495     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015026   | 0.015026   | 0.015026   |   0.0 |  0.03
Output  | 4.5375e-05 | 4.5375e-05 | 4.5375e-05 |   0.0 |  0.00
Modify  | 0.061884   | 0.061884   | 0.061884   |   0.0 |  0.12
Other   |            | 0.005452   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223762 ave      223762 max      223762 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223762
Ave neighs/atom = 111.881
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.824183407349, Press = 1.06697152288722
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     84000  -10430.851     -10430.851     -10515.851     -10515.851      328.95823      328.95823      27154.136      27154.136      2442.9398      2442.9398    
     85000  -10427.572     -10427.572     -10513.988     -10513.988      334.43954      334.43954      27168.806      27168.806      1806.472       1806.472     
Loop time of 49.5896 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.742 ns/day, 13.775 hours/ns, 20.166 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.507     | 49.507     | 49.507     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01496    | 0.01496    | 0.01496    |   0.0 |  0.03
Output  | 5.5705e-05 | 5.5705e-05 | 5.5705e-05 |   0.0 |  0.00
Modify  | 0.061945   | 0.061945   | 0.061945   |   0.0 |  0.12
Other   |            | 0.00546    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223848 ave      223848 max      223848 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223848
Ave neighs/atom = 111.924
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.79309797983, Press = 0.527521676007117
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     85000  -10427.572     -10427.572     -10513.988     -10513.988      334.43954      334.43954      27168.806      27168.806      1806.472       1806.472     
     86000  -10430.119     -10430.119     -10514.812     -10514.812      327.76943      327.76943      27192.084      27192.084      248.56067      248.56067    
Loop time of 49.5557 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.743 ns/day, 13.765 hours/ns, 20.179 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.473     | 49.473     | 49.473     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015002   | 0.015002   | 0.015002   |   0.0 |  0.03
Output  | 5.3721e-05 | 5.3721e-05 | 5.3721e-05 |   0.0 |  0.00
Modify  | 0.06189    | 0.06189    | 0.06189    |   0.0 |  0.12
Other   |            | 0.005455   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223818 ave      223818 max      223818 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223818
Ave neighs/atom = 111.909
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.781921611423, Press = 0.356571071348764
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     86000  -10430.119     -10430.119     -10514.812     -10514.812      327.76943      327.76943      27192.084      27192.084      248.56067      248.56067    
     87000  -10425.71      -10425.71      -10512.77      -10512.77       336.93085      336.93085      27204.425      27204.425     -79.663337     -79.663337    
Loop time of 49.5192 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.745 ns/day, 13.755 hours/ns, 20.194 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.437     | 49.437     | 49.437     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015122   | 0.015122   | 0.015122   |   0.0 |  0.03
Output  | 4.0516e-05 | 4.0516e-05 | 4.0516e-05 |   0.0 |  0.00
Modify  | 0.061961   | 0.061961   | 0.061961   |   0.0 |  0.13
Other   |            | 0.00545    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223810 ave      223810 max      223810 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223810
Ave neighs/atom = 111.905
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.783906632707, Press = 0.435730944393223
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     87000  -10425.71      -10425.71      -10512.77      -10512.77       336.93085      336.93085      27204.425      27204.425     -79.663337     -79.663337    
     88000  -10427.974     -10427.974     -10514.775     -10514.775      335.92657      335.92657      27203.524      27203.524     -160.75518     -160.75518    
Loop time of 49.4605 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.747 ns/day, 13.739 hours/ns, 20.218 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.378     | 49.378     | 49.378     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015027   | 0.015027   | 0.015027   |   0.0 |  0.03
Output  | 3.1309e-05 | 3.1309e-05 | 3.1309e-05 |   0.0 |  0.00
Modify  | 0.061938   | 0.061938   | 0.061938   |   0.0 |  0.13
Other   |            | 0.005481   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223798 ave      223798 max      223798 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223798
Ave neighs/atom = 111.899
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.825792548301, Press = 0.52146926029746
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     88000  -10427.974     -10427.974     -10514.775     -10514.775      335.92657      335.92657      27203.524      27203.524     -160.75518     -160.75518    
     89000  -10424.98      -10424.98      -10514.581     -10514.581      346.76398      346.76398      27207.957      27207.957     -356.37904     -356.37904    
Loop time of 49.3657 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.750 ns/day, 13.713 hours/ns, 20.257 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.283     | 49.283     | 49.283     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014944   | 0.014944   | 0.014944   |   0.0 |  0.03
Output  | 3.3644e-05 | 3.3644e-05 | 3.3644e-05 |   0.0 |  0.00
Modify  | 0.0619     | 0.0619     | 0.0619     |   0.0 |  0.13
Other   |            | 0.005468   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223782 ave      223782 max      223782 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223782
Ave neighs/atom = 111.891
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.837287944258, Press = 0.50463654475102
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     89000  -10424.98      -10424.98      -10514.581     -10514.581      346.76398      346.76398      27207.957      27207.957     -356.37904     -356.37904    
     90000  -10430.065     -10430.065     -10514.445     -10514.445      326.55716      326.55716      27205.89       27205.89      -367.77435     -367.77435    
Loop time of 49.4373 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.748 ns/day, 13.733 hours/ns, 20.228 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.355     | 49.355     | 49.355     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01502    | 0.01502    | 0.01502    |   0.0 |  0.03
Output  | 7.0773e-05 | 7.0773e-05 | 7.0773e-05 |   0.0 |  0.00
Modify  | 0.061853   | 0.061853   | 0.061853   |   0.0 |  0.13
Other   |            | 0.005475   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223792 ave      223792 max      223792 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223792
Ave neighs/atom = 111.896
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.868147855297, Press = 0.607167101795126
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     90000  -10430.065     -10430.065     -10514.445     -10514.445      326.55716      326.55716      27205.89       27205.89      -367.77435     -367.77435    
     91000  -10427.783     -10427.783     -10513.78      -10513.78       332.8179       332.8179       27203.601      27203.601     -245.01486     -245.01486    
Loop time of 49.5237 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.745 ns/day, 13.757 hours/ns, 20.192 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.441     | 49.441     | 49.441     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015075   | 0.015075   | 0.015075   |   0.0 |  0.03
Output  | 5.1757e-05 | 5.1757e-05 | 5.1757e-05 |   0.0 |  0.00
Modify  | 0.061925   | 0.061925   | 0.061925   |   0.0 |  0.13
Other   |            | 0.005458   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223778 ave      223778 max      223778 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223778
Ave neighs/atom = 111.889
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.874335639821, Press = 0.666632178926502
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     91000  -10427.783     -10427.783     -10513.78      -10513.78       332.8179       332.8179       27203.601      27203.601     -245.01486     -245.01486    
     92000  -10430.325     -10430.325     -10516.571     -10516.571      333.78086      333.78086      27196.871      27196.871     -81.368846     -81.368846    
Loop time of 49.5163 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.745 ns/day, 13.755 hours/ns, 20.195 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.434     | 49.434     | 49.434     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014978   | 0.014978   | 0.014978   |   0.0 |  0.03
Output  | 4.7329e-05 | 4.7329e-05 | 4.7329e-05 |   0.0 |  0.00
Modify  | 0.061939   | 0.061939   | 0.061939   |   0.0 |  0.13
Other   |            | 0.005457   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223742 ave      223742 max      223742 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223742
Ave neighs/atom = 111.871
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.862964593798, Press = 0.710487949671533
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     92000  -10430.325     -10430.325     -10516.571     -10516.571      333.78086      333.78086      27196.871      27196.871     -81.368846     -81.368846    
     93000  -10428.085     -10428.085     -10512.732     -10512.732      327.5929       327.5929       27180.742      27180.742      1240.8004      1240.8004    
Loop time of 49.6366 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.741 ns/day, 13.788 hours/ns, 20.146 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.554     | 49.554     | 49.554     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015      | 0.015      | 0.015      |   0.0 |  0.03
Output  | 3.5567e-05 | 3.5567e-05 | 3.5567e-05 |   0.0 |  0.00
Modify  | 0.061856   | 0.061856   | 0.061856   |   0.0 |  0.12
Other   |            | 0.005475   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223798 ave      223798 max      223798 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223798
Ave neighs/atom = 111.899
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.850085597499, Press = 0.612479955326013
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     93000  -10428.085     -10428.085     -10512.732     -10512.732      327.5929       327.5929       27180.742      27180.742      1240.8004      1240.8004    
     94000  -10430.464     -10430.464     -10517.573     -10517.573      337.11874      337.11874      27169.41       27169.41       1451.1663      1451.1663    
Loop time of 49.5506 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.744 ns/day, 13.764 hours/ns, 20.181 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.468     | 49.468     | 49.468     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014965   | 0.014965   | 0.014965   |   0.0 |  0.03
Output  | 2.3805e-05 | 2.3805e-05 | 2.3805e-05 |   0.0 |  0.00
Modify  | 0.061775   | 0.061775   | 0.061775   |   0.0 |  0.12
Other   |            | 0.00544    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223794 ave      223794 max      223794 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223794
Ave neighs/atom = 111.897
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.828868983892, Press = 0.273275266214513
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     94000  -10430.464     -10430.464     -10517.573     -10517.573      337.11874      337.11874      27169.41       27169.41       1451.1663      1451.1663    
     95000  -10428.04      -10428.04      -10514.239     -10514.239      333.60165      333.60165      27184.121      27184.121      923.74216      923.74216    
Loop time of 49.514 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.745 ns/day, 13.754 hours/ns, 20.196 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.432     | 49.432     | 49.432     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014939   | 0.014939   | 0.014939   |   0.0 |  0.03
Output  | 5.2198e-05 | 5.2198e-05 | 5.2198e-05 |   0.0 |  0.00
Modify  | 0.061984   | 0.061984   | 0.061984   |   0.0 |  0.13
Other   |            | 0.005481   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223820 ave      223820 max      223820 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223820
Ave neighs/atom = 111.91
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.857982250462, Press = -0.243234694317395
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     95000  -10428.04      -10428.04      -10514.239     -10514.239      333.60165      333.60165      27184.121      27184.121      923.74216      923.74216    
     96000  -10425.114     -10425.114     -10511.273     -10511.273      333.44338      333.44338      27217.068      27217.068     -672.10422     -672.10422    
Loop time of 49.4937 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.746 ns/day, 13.748 hours/ns, 20.205 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.411     | 49.411     | 49.411     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014975   | 0.014975   | 0.014975   |   0.0 |  0.03
Output  | 3.6879e-05 | 3.6879e-05 | 3.6879e-05 |   0.0 |  0.00
Modify  | 0.061988   | 0.061988   | 0.061988   |   0.0 |  0.13
Other   |            | 0.005461   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223796 ave      223796 max      223796 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223796
Ave neighs/atom = 111.898
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.876553124247, Press = -0.193879672571132
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     96000  -10425.114     -10425.114     -10511.273     -10511.273      333.44338      333.44338      27217.068      27217.068     -672.10422     -672.10422    
     97000  -10429.898     -10429.898     -10514.913     -10514.913      329.01881      329.01881      27238.833      27238.833     -2439.1186     -2439.1186    
Loop time of 49.4013 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.749 ns/day, 13.723 hours/ns, 20.242 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.319     | 49.319     | 49.319     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015039   | 0.015039   | 0.015039   |   0.0 |  0.03
Output  | 5.5725e-05 | 5.5725e-05 | 5.5725e-05 |   0.0 |  0.00
Modify  | 0.062002   | 0.062002   | 0.062002   |   0.0 |  0.13
Other   |            | 0.005471   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223710 ave      223710 max      223710 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223710
Ave neighs/atom = 111.855
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.8905920349, Press = -0.0794837835818497
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     97000  -10429.898     -10429.898     -10514.913     -10514.913      329.01881      329.01881      27238.833      27238.833     -2439.1186     -2439.1186    
     98000  -10431.39      -10431.39      -10515.042     -10515.042      323.74102      323.74102      27241.874      27241.874     -2517.0837     -2517.0837    
Loop time of 49.4827 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.746 ns/day, 13.745 hours/ns, 20.209 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.4       | 49.4       | 49.4       |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014896   | 0.014896   | 0.014896   |   0.0 |  0.03
Output  | 4.6858e-05 | 4.6858e-05 | 4.6858e-05 |   0.0 |  0.00
Modify  | 0.061918   | 0.061918   | 0.061918   |   0.0 |  0.13
Other   |            | 0.00545    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223760 ave      223760 max      223760 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223760
Ave neighs/atom = 111.88
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.888582852149, Press = 0.437704160151269
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     98000  -10431.39      -10431.39      -10515.042     -10515.042      323.74102      323.74102      27241.874      27241.874     -2517.0837     -2517.0837    
     99000  -10427.49      -10427.49      -10513.181     -10513.181      331.63396      331.63396      27228.579      27228.579     -1764.3434     -1764.3434    
Loop time of 49.5083 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.745 ns/day, 13.752 hours/ns, 20.199 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.426     | 49.426     | 49.426     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014922   | 0.014922   | 0.014922   |   0.0 |  0.03
Output  | 4.3982e-05 | 4.3982e-05 | 4.3982e-05 |   0.0 |  0.00
Modify  | 0.061931   | 0.061931   | 0.061931   |   0.0 |  0.13
Other   |            | 0.005444   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223736 ave      223736 max      223736 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223736
Ave neighs/atom = 111.868
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.859691999116, Press = 0.730517668412737
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     99000  -10427.49      -10427.49      -10513.181     -10513.181      331.63396      331.63396      27228.579      27228.579     -1764.3434     -1764.3434    
    100000  -10431.188     -10431.188     -10515.182     -10515.182      325.06228      325.06228      27201.63       27201.63      -299.91084     -299.91084    
Loop time of 49.5162 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.745 ns/day, 13.755 hours/ns, 20.195 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.434     | 49.434     | 49.434     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014882   | 0.014882   | 0.014882   |   0.0 |  0.03
Output  | 2.4356e-05 | 2.4356e-05 | 2.4356e-05 |   0.0 |  0.00
Modify  | 0.061851   | 0.061851   | 0.061851   |   0.0 |  0.12
Other   |            | 0.005432   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223762 ave      223762 max      223762 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223762
Ave neighs/atom = 111.881
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.846489826842, Press = 0.893408772783265
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    100000  -10431.188     -10431.188     -10515.182     -10515.182      325.06228      325.06228      27201.63       27201.63      -299.91084     -299.91084    
    101000  -10429.115     -10429.115     -10515.224     -10515.224      333.25101      333.25101      27185.38       27185.38       733.0584       733.0584     
Loop time of 49.3287 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.752 ns/day, 13.702 hours/ns, 20.272 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.246     | 49.246     | 49.246     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014927   | 0.014927   | 0.014927   |   0.0 |  0.03
Output  | 6.0413e-05 | 6.0413e-05 | 6.0413e-05 |   0.0 |  0.00
Modify  | 0.061962   | 0.061962   | 0.061962   |   0.0 |  0.13
Other   |            | 0.00547    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223778 ave      223778 max      223778 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223778
Ave neighs/atom = 111.889
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.860195343571, Press = 0.731995112115902
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    101000  -10429.115     -10429.115     -10515.224     -10515.224      333.25101      333.25101      27185.38       27185.38       733.0584       733.0584     
    102000  -10425.744     -10425.744     -10513.702     -10513.702      340.40336      340.40336      27183.373      27183.373      914.04476      914.04476    
Loop time of 49.3564 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.751 ns/day, 13.710 hours/ns, 20.261 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.274     | 49.274     | 49.274     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014967   | 0.014967   | 0.014967   |   0.0 |  0.03
Output  | 6.6415e-05 | 6.6415e-05 | 6.6415e-05 |   0.0 |  0.00
Modify  | 0.062025   | 0.062025   | 0.062025   |   0.0 |  0.13
Other   |            | 0.005416   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223780 ave      223780 max      223780 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223780
Ave neighs/atom = 111.89
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.876098452775, Press = 0.540584163533438
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    102000  -10425.744     -10425.744     -10513.702     -10513.702      340.40336      340.40336      27183.373      27183.373      914.04476      914.04476    
    103000  -10428.518     -10428.518     -10514.472     -10514.472      332.651        332.651        27170.442      27170.442      1706.1595      1706.1595    
Loop time of 49.4436 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.747 ns/day, 13.734 hours/ns, 20.225 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.361     | 49.361     | 49.361     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014978   | 0.014978   | 0.014978   |   0.0 |  0.03
Output  | 4.9853e-05 | 4.9853e-05 | 4.9853e-05 |   0.0 |  0.00
Modify  | 0.062032   | 0.062032   | 0.062032   |   0.0 |  0.13
Other   |            | 0.00543    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223798 ave      223798 max      223798 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223798
Ave neighs/atom = 111.899
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.884163711112, Press = 0.230444449934931
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    103000  -10428.518     -10428.518     -10514.472     -10514.472      332.651        332.651        27170.442      27170.442      1706.1595      1706.1595    
    104000  -10426.669     -10426.669     -10513.111     -10513.111      334.54087      334.54087      27178.693      27178.693      1227.0259      1227.0259    
Loop time of 49.3672 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.750 ns/day, 13.713 hours/ns, 20.256 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.285     | 49.285     | 49.285     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015095   | 0.015095   | 0.015095   |   0.0 |  0.03
Output  | 5.6566e-05 | 5.6566e-05 | 5.6566e-05 |   0.0 |  0.00
Modify  | 0.06192    | 0.06192    | 0.06192    |   0.0 |  0.13
Other   |            | 0.005332   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223800 ave      223800 max      223800 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223800
Ave neighs/atom = 111.9
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.881562436005, Press = -0.417631788707232
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    104000  -10426.669     -10426.669     -10513.111     -10513.111      334.54087      334.54087      27178.693      27178.693      1227.0259      1227.0259    
    105000  -10433.741     -10433.741     -10516.278     -10516.278      319.42707      319.42707      27211.215      27211.215     -1098.0005     -1098.0005    
Loop time of 49.4649 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.747 ns/day, 13.740 hours/ns, 20.216 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.382     | 49.382     | 49.382     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014973   | 0.014973   | 0.014973   |   0.0 |  0.03
Output  | 3.7821e-05 | 3.7821e-05 | 3.7821e-05 |   0.0 |  0.00
Modify  | 0.062033   | 0.062033   | 0.062033   |   0.0 |  0.13
Other   |            | 0.005444   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223770 ave      223770 max      223770 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223770
Ave neighs/atom = 111.885
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.87392399938, Press = -0.407505004826781
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    105000  -10433.741     -10433.741     -10516.278     -10516.278      319.42707      319.42707      27211.215      27211.215     -1098.0005     -1098.0005    
    106000  -10425.693     -10425.693     -10513.348     -10513.348      339.23519      339.23519      27227.002      27227.002     -1398.7578     -1398.7578    
Loop time of 49.4988 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.745 ns/day, 13.750 hours/ns, 20.203 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.416     | 49.416     | 49.416     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01494    | 0.01494    | 0.01494    |   0.0 |  0.03
Output  | 3.0818e-05 | 3.0818e-05 | 3.0818e-05 |   0.0 |  0.00
Modify  | 0.062009   | 0.062009   | 0.062009   |   0.0 |  0.13
Other   |            | 0.005357   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223808 ave      223808 max      223808 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223808
Ave neighs/atom = 111.904
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.855882243455, Press = 0.20455790440347
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    106000  -10425.693     -10425.693     -10513.348     -10513.348      339.23519      339.23519      27227.002      27227.002     -1398.7578     -1398.7578    
    107000  -10429.969     -10429.969     -10515.977     -10515.977      332.85926      332.85926      27211.786      27211.786     -929.39043     -929.39043    
Loop time of 49.4653 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.747 ns/day, 13.740 hours/ns, 20.216 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.383     | 49.383     | 49.383     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014966   | 0.014966   | 0.014966   |   0.0 |  0.03
Output  | 6.0113e-05 | 6.0113e-05 | 6.0113e-05 |   0.0 |  0.00
Modify  | 0.062078   | 0.062078   | 0.062078   |   0.0 |  0.13
Other   |            | 0.005443   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223778 ave      223778 max      223778 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223778
Ave neighs/atom = 111.889
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.859371241073, Press = 0.456398460856916
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    107000  -10429.969     -10429.969     -10515.977     -10515.977      332.85926      332.85926      27211.786      27211.786     -929.39043     -929.39043    
    108000  -10425.071     -10425.071     -10509.536     -10509.536      326.89019      326.89019      27205.567      27205.567      57.583833      57.583833    
Loop time of 49.5687 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.743 ns/day, 13.769 hours/ns, 20.174 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.486     | 49.486     | 49.486     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014921   | 0.014921   | 0.014921   |   0.0 |  0.03
Output  | 6.1726e-05 | 6.1726e-05 | 6.1726e-05 |   0.0 |  0.00
Modify  | 0.062015   | 0.062015   | 0.062015   |   0.0 |  0.13
Other   |            | 0.005441   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223772 ave      223772 max      223772 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223772
Ave neighs/atom = 111.886
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.867531652224, Press = 0.495615803054129
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    108000  -10425.071     -10425.071     -10509.536     -10509.536      326.89019      326.89019      27205.567      27205.567      57.583833      57.583833    
    109000  -10432.372     -10432.372     -10516.676     -10516.676      326.2654       326.2654       27198.329      27198.329     -271.67613     -271.67613    
Loop time of 49.4873 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.746 ns/day, 13.746 hours/ns, 20.207 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.405     | 49.405     | 49.405     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014958   | 0.014958   | 0.014958   |   0.0 |  0.03
Output  | 5.3791e-05 | 5.3791e-05 | 5.3791e-05 |   0.0 |  0.00
Modify  | 0.062047   | 0.062047   | 0.062047   |   0.0 |  0.13
Other   |            | 0.005456   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223712 ave      223712 max      223712 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223712
Ave neighs/atom = 111.856
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.854140976498, Press = 0.384215429310233
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    109000  -10432.372     -10432.372     -10516.676     -10516.676      326.2654       326.2654       27198.329      27198.329     -271.67613     -271.67613    
    110000  -10428.137     -10428.137     -10517.593     -10517.593      346.20339      346.20339      27203.907      27203.907     -391.44872     -391.44872    
Loop time of 49.5519 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.744 ns/day, 13.764 hours/ns, 20.181 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.469     | 49.469     | 49.469     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014901   | 0.014901   | 0.014901   |   0.0 |  0.03
Output  | 5.0245e-05 | 5.0245e-05 | 5.0245e-05 |   0.0 |  0.00
Modify  | 0.062043   | 0.062043   | 0.062043   |   0.0 |  0.13
Other   |            | 0.005454   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223804 ave      223804 max      223804 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223804
Ave neighs/atom = 111.902
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.844426637839, Press = 0.309008475968666
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    110000  -10428.137     -10428.137     -10517.593     -10517.593      346.20339      346.20339      27203.907      27203.907     -391.44872     -391.44872    
    111000  -10426.229     -10426.229     -10512.483     -10512.483      333.80837      333.80837      27206.432      27206.432     -188.6387      -188.6387     
Loop time of 49.6454 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.740 ns/day, 13.790 hours/ns, 20.143 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.563     | 49.563     | 49.563     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015037   | 0.015037   | 0.015037   |   0.0 |  0.03
Output  | 4.4033e-05 | 4.4033e-05 | 4.4033e-05 |   0.0 |  0.00
Modify  | 0.062149   | 0.062149   | 0.062149   |   0.0 |  0.13
Other   |            | 0.005455   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223802 ave      223802 max      223802 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223802
Ave neighs/atom = 111.901
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.820671375371, Press = 0.324572279102258
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    111000  -10426.229     -10426.229     -10512.483     -10512.483      333.80837      333.80837      27206.432      27206.432     -188.6387      -188.6387     
    112000  -10428.695     -10428.695     -10516.683     -10516.683      340.52466      340.52466      27197.522      27197.522      11.332388      11.332388    
Loop time of 49.672 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.739 ns/day, 13.798 hours/ns, 20.132 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.588     | 49.588     | 49.588     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015455   | 0.015455   | 0.015455   |   0.0 |  0.03
Output  | 5.305e-05  | 5.305e-05  | 5.305e-05  |   0.0 |  0.00
Modify  | 0.063043   | 0.063043   | 0.063043   |   0.0 |  0.13
Other   |            | 0.005533   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223718 ave      223718 max      223718 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223718
Ave neighs/atom = 111.859
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.825824835776, Press = 0.306160052269374
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    112000  -10428.695     -10428.695     -10516.683     -10516.683      340.52466      340.52466      27197.522      27197.522      11.332388      11.332388    
    113000  -10426.533     -10426.533     -10512.062     -10512.062      331.00696      331.00696      27201.146      27201.146      253.59615      253.59615    
Loop time of 49.6005 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.742 ns/day, 13.778 hours/ns, 20.161 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.517     | 49.517     | 49.517     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015246   | 0.015246   | 0.015246   |   0.0 |  0.03
Output  | 3.2892e-05 | 3.2892e-05 | 3.2892e-05 |   0.0 |  0.00
Modify  | 0.062608   | 0.062608   | 0.062608   |   0.0 |  0.13
Other   |            | 0.005464   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223778 ave      223778 max      223778 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223778
Ave neighs/atom = 111.889
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.85792822933, Press = 0.304988060749741
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    113000  -10426.533     -10426.533     -10512.062     -10512.062      331.00696      331.00696      27201.146      27201.146      253.59615      253.59615    
    114000  -10425.981     -10425.981     -10513.025     -10513.025      336.86659      336.86659      27195.962      27195.962      386.83188      386.83188    
Loop time of 49.6105 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.742 ns/day, 13.781 hours/ns, 20.157 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.527     | 49.527     | 49.527     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015496   | 0.015496   | 0.015496   |   0.0 |  0.03
Output  | 3.7861e-05 | 3.7861e-05 | 3.7861e-05 |   0.0 |  0.00
Modify  | 0.062747   | 0.062747   | 0.062747   |   0.0 |  0.13
Other   |            | 0.005468   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223744 ave      223744 max      223744 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223744
Ave neighs/atom = 111.872
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.854063269434, Press = 0.28505507533942
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    114000  -10425.981     -10425.981     -10513.025     -10513.025      336.86659      336.86659      27195.962      27195.962      386.83188      386.83188    
    115000  -10429.531     -10429.531     -10513.702     -10513.702      325.74893      325.74893      27186.59       27186.59       695.05674      695.05674    
Loop time of 49.5709 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.743 ns/day, 13.770 hours/ns, 20.173 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.487     | 49.487     | 49.487     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01532    | 0.01532    | 0.01532    |   0.0 |  0.03
Output  | 3.4134e-05 | 3.4134e-05 | 3.4134e-05 |   0.0 |  0.00
Modify  | 0.062913   | 0.062913   | 0.062913   |   0.0 |  0.13
Other   |            | 0.005556   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223766 ave      223766 max      223766 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223766
Ave neighs/atom = 111.883
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.875751818161, Press = 0.288334536549408
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    115000  -10429.531     -10429.531     -10513.702     -10513.702      325.74893      325.74893      27186.59       27186.59       695.05674      695.05674    
    116000  -10425.734     -10425.734     -10512.986     -10512.986      337.6756       337.6756       27187.981      27187.981      865.26586      865.26586    
Loop time of 49.5665 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.743 ns/day, 13.768 hours/ns, 20.175 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.483     | 49.483     | 49.483     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01521    | 0.01521    | 0.01521    |   0.0 |  0.03
Output  | 4.0326e-05 | 4.0326e-05 | 4.0326e-05 |   0.0 |  0.00
Modify  | 0.062541   | 0.062541   | 0.062541   |   0.0 |  0.13
Other   |            | 0.005459   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223750 ave      223750 max      223750 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223750
Ave neighs/atom = 111.875
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.89192269568, Press = -0.00108228596183389
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    116000  -10425.734     -10425.734     -10512.986     -10512.986      337.6756       337.6756       27187.981      27187.981      865.26586      865.26586    
    117000  -10431.175     -10431.175     -10515.558     -10515.558      326.57072      326.57072      27198          27198         -115.48328     -115.48328    
Loop time of 49.6662 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.740 ns/day, 13.796 hours/ns, 20.134 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.584     | 49.584     | 49.584     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014964   | 0.014964   | 0.014964   |   0.0 |  0.03
Output  | 4.5305e-05 | 4.5305e-05 | 4.5305e-05 |   0.0 |  0.00
Modify  | 0.062132   | 0.062132   | 0.062132   |   0.0 |  0.13
Other   |            | 0.005355   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223794 ave      223794 max      223794 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223794
Ave neighs/atom = 111.897
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.889871719689, Press = -0.231321830935893
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    117000  -10431.175     -10431.175     -10515.558     -10515.558      326.57072      326.57072      27198          27198         -115.48328     -115.48328    
    118000  -10427.059     -10427.059     -10512.983     -10512.983      332.53756      332.53756      27237.835      27237.835     -1885.1579     -1885.1579    
Loop time of 49.8901 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.732 ns/day, 13.858 hours/ns, 20.044 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.807     | 49.807     | 49.807     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014996   | 0.014996   | 0.014996   |   0.0 |  0.03
Output  | 3.147e-05  | 3.147e-05  | 3.147e-05  |   0.0 |  0.00
Modify  | 0.062285   | 0.062285   | 0.062285   |   0.0 |  0.12
Other   |            | 0.005334   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223762 ave      223762 max      223762 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223762
Ave neighs/atom = 111.881
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.872384549015, Press = -0.288230145135129
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    118000  -10427.059     -10427.059     -10512.983     -10512.983      332.53756      332.53756      27237.835      27237.835     -1885.1579     -1885.1579    
    119000  -10427.014     -10427.014     -10513.908     -10513.908      336.28741      336.28741      27254.319      27254.319     -2865.0531     -2865.0531    
Loop time of 49.8997 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.731 ns/day, 13.861 hours/ns, 20.040 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.817     | 49.817     | 49.817     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015159   | 0.015159   | 0.015159   |   0.0 |  0.03
Output  | 4.9312e-05 | 4.9312e-05 | 4.9312e-05 |   0.0 |  0.00
Modify  | 0.062393   | 0.062393   | 0.062393   |   0.0 |  0.13
Other   |            | 0.005344   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223766 ave      223766 max      223766 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223766
Ave neighs/atom = 111.883
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.877894181831, Press = 0.0979493584474757
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    119000  -10427.014     -10427.014     -10513.908     -10513.908      336.28741      336.28741      27254.319      27254.319     -2865.0531     -2865.0531    
    120000  -10429.261     -10429.261     -10514.42      -10514.42       329.57244      329.57244      27228.485      27228.485     -1636.8518     -1636.8518    
Loop time of 49.8179 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.734 ns/day, 13.838 hours/ns, 20.073 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.735     | 49.735     | 49.735     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015033   | 0.015033   | 0.015033   |   0.0 |  0.03
Output  | 5.2248e-05 | 5.2248e-05 | 5.2248e-05 |   0.0 |  0.00
Modify  | 0.062134   | 0.062134   | 0.062134   |   0.0 |  0.12
Other   |            | 0.005339   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223692 ave      223692 max      223692 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223692
Ave neighs/atom = 111.846
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.908519747966, Press = 0.459099897718204
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    120000  -10429.261     -10429.261     -10514.42      -10514.42       329.57244      329.57244      27228.485      27228.485     -1636.8518     -1636.8518    
    121000  -10426.808     -10426.808     -10514.455     -10514.455      339.20234      339.20234      27206.869      27206.869     -372.2803      -372.2803     
Loop time of 49.7635 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.736 ns/day, 13.823 hours/ns, 20.095 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.681     | 49.681     | 49.681     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015074   | 0.015074   | 0.015074   |   0.0 |  0.03
Output  | 6.2277e-05 | 6.2277e-05 | 6.2277e-05 |   0.0 |  0.00
Modify  | 0.062196   | 0.062196   | 0.062196   |   0.0 |  0.12
Other   |            | 0.005349   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223774 ave      223774 max      223774 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223774
Ave neighs/atom = 111.887
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.912344014762, Press = 0.395558123432713
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    121000  -10426.808     -10426.808     -10514.455     -10514.455      339.20234      339.20234      27206.869      27206.869     -372.2803      -372.2803     
    122000  -10427.142     -10427.142     -10515.528     -10515.528      342.06579      342.06579      27200.322      27200.322     -1.6000895     -1.6000895    
Loop time of 49.7687 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.736 ns/day, 13.825 hours/ns, 20.093 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.686     | 49.686     | 49.686     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015115   | 0.015115   | 0.015115   |   0.0 |  0.03
Output  | 4.828e-05  | 4.828e-05  | 4.828e-05  |   0.0 |  0.00
Modify  | 0.062245   | 0.062245   | 0.062245   |   0.0 |  0.13
Other   |            | 0.00534    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223808 ave      223808 max      223808 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223808
Ave neighs/atom = 111.904
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.921069304792, Press = 0.300059987591928
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    122000  -10427.142     -10427.142     -10515.528     -10515.528      342.06579      342.06579      27200.322      27200.322     -1.6000895     -1.6000895    
    123000  -10426.963     -10426.963     -10512.392     -10512.392      330.62025      330.62025      27189.03       27189.03       799.99875      799.99875    
Loop time of 49.7431 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.737 ns/day, 13.818 hours/ns, 20.103 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.661     | 49.661     | 49.661     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015064   | 0.015064   | 0.015064   |   0.0 |  0.03
Output  | 4.5536e-05 | 4.5536e-05 | 4.5536e-05 |   0.0 |  0.00
Modify  | 0.062116   | 0.062116   | 0.062116   |   0.0 |  0.12
Other   |            | 0.005352   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223758 ave      223758 max      223758 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223758
Ave neighs/atom = 111.879
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.946873446447, Press = 0.327141161619491
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    123000  -10426.963     -10426.963     -10512.392     -10512.392      330.62025      330.62025      27189.03       27189.03       799.99875      799.99875    
    124000  -10428.376     -10428.376     -10513.862     -10513.862      330.84167      330.84167      27166.753      27166.753      1926.8201      1926.8201    
Loop time of 49.6553 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.740 ns/day, 13.793 hours/ns, 20.139 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.573     | 49.573     | 49.573     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01492    | 0.01492    | 0.01492    |   0.0 |  0.03
Output  | 3.2992e-05 | 3.2992e-05 | 3.2992e-05 |   0.0 |  0.00
Modify  | 0.062012   | 0.062012   | 0.062012   |   0.0 |  0.12
Other   |            | 0.005341   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223722 ave      223722 max      223722 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223722
Ave neighs/atom = 111.861
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.9500144433, Press = 0.237241964506827
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    124000  -10428.376     -10428.376     -10513.862     -10513.862      330.84167      330.84167      27166.753      27166.753      1926.8201      1926.8201    
    125000  -10431.582     -10431.582     -10514.799     -10514.799      322.05821      322.05821      27161.491      27161.491      2014.1942      2014.1942    
Loop time of 49.6335 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.741 ns/day, 13.787 hours/ns, 20.148 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.551     | 49.551     | 49.551     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015012   | 0.015012   | 0.015012   |   0.0 |  0.03
Output  | 0.00012465 | 0.00012465 | 0.00012465 |   0.0 |  0.00
Modify  | 0.062195   | 0.062195   | 0.062195   |   0.0 |  0.13
Other   |            | 0.005307   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223772 ave      223772 max      223772 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223772
Ave neighs/atom = 111.886
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
jump SELF break

# Write final averaged volume to file if temperature and volume have converged; otherwise wirte a
# flag to indicate non-convergence.
variable      myStep equal step
if "${myStep} < 2000000" then "print '${V}'  file output/vol_T333.15.out"  else  "print 'not_converged'  file output/vol_T333.15.out"
print '${V}'  file output/vol_T333.15.out
27200.5077718098

print "LAMMPS calculation completed"
LAMMPS calculation completed
quit 0