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

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

# create a supercell with cubic lattice (fcc, bcc, sc, or diamond)
# using 10*10*10 conventional (orthogonal) unit cells
variable latticeconst_converted equal 3.031088910996914*${_u_distance}
variable latticeconst_converted equal 3.031088910996914*1
lattice       bcc  ${latticeconst_converted}
lattice       bcc  3.03108891099691
Lattice spacing in x,y,z = 3.0310889 3.0310889 3.0310889
region        simbox  block 0 10 0 10 0 10 units lattice
create_box    1 simbox
Created orthogonal box = (0 0 0) to (30.310889 30.310889 30.310889)
  1 by 1 by 1 MPI processor grid
create_atoms  1 box
Created 2000 atoms
  using lattice units in orthogonal box = (0 0 0) to (30.310889 30.310889 30.310889)
  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_ShimKoKim_2013_NiVH__MO_612225165948_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 27848.1293284656    
variable      V0_metal equal ${V0}/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 27848.1293284656/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 27848.1293284656/(1*${_u_distance}*${_u_distance})
variable      V0_metal equal 27848.1293284656/(1*1*${_u_distance})
variable      V0_metal equal 27848.1293284656/(1*1*1)
variable      V0_metal_times1000 equal ${V0_metal}*1000
variable      V0_metal_times1000 equal 27848.1293284656*1000

print "Initial system volume: ${V0_metal} Angstroms^3"
Initial system volume: 27848.1293284656 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 313.15*${_u_temperature}
variable temp_converted equal 313.15*1
variable Tdamp_converted equal 0.1*${_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 313.15 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 313.15 ${temp_converted} ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 313.15 313.15 ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 313.15 313.15 0.1               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 313.15 313.15 0.1               iso 0 ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 313.15 313.15 0.1               iso 0 0 ${Pdamp_converted}
fix           ensemble all npt temp 313.15 313.15 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  "313.15 - 0.2"
variable      T_up  equal  "313.15 + 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_612225165948_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  -10519.085     -10519.085     -10600         -10600          313.15         313.15         27848.129      27848.129      3103.5073      3103.5073    
      1000  -10430.487     -10430.487     -10519.103     -10519.103      342.95272      342.95272      28029.244      28029.244      1409.3777      1409.3777    
Loop time of 44.4818 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.942 ns/day, 12.356 hours/ns, 22.481 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    | 44.401     | 44.401     | 44.401     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015073   | 0.015073   | 0.015073   |   0.0 |  0.03
Output  | 0.00011753 | 0.00011753 | 0.00011753 |   0.0 |  0.00
Modify  | 0.059809   | 0.059809   | 0.059809   |   0.0 |  0.13
Other   |            | 0.005405   |            |       |  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  -10430.487     -10430.487     -10519.103     -10519.103      342.95272      342.95272      28029.244      28029.244      1409.3777      1409.3777    
      2000  -10435.086     -10435.086     -10514.734     -10514.734      308.24802      308.24802      28054.474      28054.474      119.97806      119.97806    
Loop time of 46.4532 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.860 ns/day, 12.904 hours/ns, 21.527 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    | 46.373     | 46.373     | 46.373     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014852   | 0.014852   | 0.014852   |   0.0 |  0.03
Output  | 5.9091e-05 | 5.9091e-05 | 5.9091e-05 |   0.0 |  0.00
Modify  | 0.059517   | 0.059517   | 0.059517   |   0.0 |  0.13
Other   |            | 0.005364   |            |       |  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:       222378 ave      222378 max      222378 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 222378
Ave neighs/atom = 111.189
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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  -10435.086     -10435.086     -10514.734     -10514.734      308.24802      308.24802      28054.474      28054.474      119.97806      119.97806    
      3000  -10434.002     -10434.002     -10513.77      -10513.77       308.70949      308.70949      28079.402      28079.402     -1327.641      -1327.641     
Loop time of 46.4387 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.861 ns/day, 12.900 hours/ns, 21.534 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    | 46.359     | 46.359     | 46.359     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014951   | 0.014951   | 0.014951   |   0.0 |  0.03
Output  | 5.9832e-05 | 5.9832e-05 | 5.9832e-05 |   0.0 |  0.00
Modify  | 0.059478   | 0.059478   | 0.059478   |   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:       221838 ave      221838 max      221838 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221838
Ave neighs/atom = 110.919
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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  -10434.002     -10434.002     -10513.77      -10513.77       308.70949      308.70949      28079.402      28079.402     -1327.641      -1327.641     
      4000  -10433.64      -10433.64      -10513.992     -10513.992      310.97131      310.97131      28074.124      28074.124     -686.51937     -686.51937    
Loop time of 46.4199 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.861 ns/day, 12.894 hours/ns, 21.542 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    | 46.34      | 46.34      | 46.34      |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014915   | 0.014915   | 0.014915   |   0.0 |  0.03
Output  | 6.0032e-05 | 6.0032e-05 | 6.0032e-05 |   0.0 |  0.00
Modify  | 0.059513   | 0.059513   | 0.059513   |   0.0 |  0.13
Other   |            | 0.005345   |            |       |  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:       221510 ave      221510 max      221510 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221510
Ave neighs/atom = 110.755
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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  -10433.64      -10433.64      -10513.992     -10513.992      310.97131      310.97131      28074.124      28074.124     -686.51937     -686.51937    
      5000  -10432.335     -10432.335     -10516.603     -10516.603      326.1258       326.1258       28074.347      28074.347     -781.89771     -781.89771    
Loop time of 46.5587 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.856 ns/day, 12.933 hours/ns, 21.478 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    | 46.479     | 46.479     | 46.479     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014845   | 0.014845   | 0.014845   |   0.0 |  0.03
Output  | 3.5667e-05 | 3.5667e-05 | 3.5667e-05 |   0.0 |  0.00
Modify  | 0.059684   | 0.059684   | 0.059684   |   0.0 |  0.13
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:       221830 ave      221830 max      221830 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221830
Ave neighs/atom = 110.915
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 = 312.269527024175, Press = -211.389839710457
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  -10432.335     -10432.335     -10516.603     -10516.603      326.1258       326.1258       28074.347      28074.347     -781.89771     -781.89771    
      6000  -10432.993     -10432.993     -10514.536     -10514.536      315.57816      315.57816      28065.559      28065.559     -312.45779     -312.45779    
Loop time of 46.43 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.861 ns/day, 12.897 hours/ns, 21.538 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    | 46.348     | 46.348     | 46.348     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014987   | 0.014987   | 0.014987   |   0.0 |  0.03
Output  | 3.0176e-05 | 3.0176e-05 | 3.0176e-05 |   0.0 |  0.00
Modify  | 0.061739   | 0.061739   | 0.061739   |   0.0 |  0.13
Other   |            | 0.005321   |            |       |  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:       222022 ave      222022 max      222022 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 222022
Ave neighs/atom = 111.011
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.226995161636, Press = -53.6556370759137
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  -10432.993     -10432.993     -10514.536     -10514.536      315.57816      315.57816      28065.559      28065.559     -312.45779     -312.45779    
      7000  -10434.333     -10434.333     -10509.712     -10509.712      291.72296      291.72296      28012.801      28012.801      2520.5841      2520.5841    
Loop time of 46.3765 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.863 ns/day, 12.882 hours/ns, 21.563 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    | 46.295     | 46.295     | 46.295     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014883   | 0.014883   | 0.014883   |   0.0 |  0.03
Output  | 2.9235e-05 | 2.9235e-05 | 2.9235e-05 |   0.0 |  0.00
Modify  | 0.061674   | 0.061674   | 0.061674   |   0.0 |  0.13
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:       221682 ave      221682 max      221682 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221682
Ave neighs/atom = 110.841
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 311.824750214893, Press = -31.1038593215128
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  -10434.333     -10434.333     -10509.712     -10509.712      291.72296      291.72296      28012.801      28012.801      2520.5841      2520.5841    
      8000  -10434.762     -10434.762     -10513.02      -10513.02       302.8638       302.8638       28019.053      28019.053      1826.6899      1826.6899    
Loop time of 46.4514 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.860 ns/day, 12.903 hours/ns, 21.528 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    | 46.369     | 46.369     | 46.369     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014881   | 0.014881   | 0.014881   |   0.0 |  0.03
Output  | 2.2873e-05 | 2.2873e-05 | 2.2873e-05 |   0.0 |  0.00
Modify  | 0.061698   | 0.061698   | 0.061698   |   0.0 |  0.13
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:       221590 ave      221590 max      221590 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221590
Ave neighs/atom = 110.795
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.560211052831, Press = 2.23017260540869
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  -10434.762     -10434.762     -10513.02      -10513.02       302.8638       302.8638       28019.053      28019.053      1826.6899      1826.6899    
      9000  -10432.771     -10432.771     -10512.384     -10512.384      308.11062      308.11062      28041.755      28041.755      1111.7264      1111.7264    
Loop time of 46.4813 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.859 ns/day, 12.911 hours/ns, 21.514 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    | 46.399     | 46.399     | 46.399     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014987   | 0.014987   | 0.014987   |   0.0 |  0.03
Output  | 3.194e-05  | 3.194e-05  | 3.194e-05  |   0.0 |  0.00
Modify  | 0.06165    | 0.06165    | 0.06165    |   0.0 |  0.13
Other   |            | 0.005362   |            |       |  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:       221868 ave      221868 max      221868 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221868
Ave neighs/atom = 110.934
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.361984954091, Press = 7.26335626273205
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  -10432.771     -10432.771     -10512.384     -10512.384      308.11062      308.11062      28041.755      28041.755      1111.7264      1111.7264    
     10000  -10433.783     -10433.783     -10513.706     -10513.706      309.30796      309.30796      28049.249      28049.249      437.22827      437.22827    
Loop time of 46.3988 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.862 ns/day, 12.889 hours/ns, 21.552 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    | 46.317     | 46.317     | 46.317     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014859   | 0.014859   | 0.014859   |   0.0 |  0.03
Output  | 3.0107e-05 | 3.0107e-05 | 3.0107e-05 |   0.0 |  0.00
Modify  | 0.061651   | 0.061651   | 0.061651   |   0.0 |  0.13
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:       221774 ave      221774 max      221774 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221774
Ave neighs/atom = 110.887
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 = 312.441087623867, Press = 7.43358399647128
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  -10433.783     -10433.783     -10513.706     -10513.706      309.30796      309.30796      28049.249      28049.249      437.22827      437.22827    
     11000  -10435.269     -10435.269     -10514.953     -10514.953      308.38514      308.38514      28066.249      28066.249     -703.74234     -703.74234    
Loop time of 46.5578 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.856 ns/day, 12.933 hours/ns, 21.479 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    | 46.476     | 46.476     | 46.476     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014909   | 0.014909   | 0.014909   |   0.0 |  0.03
Output  | 3.0186e-05 | 3.0186e-05 | 3.0186e-05 |   0.0 |  0.00
Modify  | 0.061661   | 0.061661   | 0.061661   |   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:       221862 ave      221862 max      221862 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221862
Ave neighs/atom = 110.931
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.543776317278, Press = 5.9532572991817
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  -10435.269     -10435.269     -10514.953     -10514.953      308.38514      308.38514      28066.249      28066.249     -703.74234     -703.74234    
     12000  -10434.93      -10434.93      -10513.07      -10513.07       302.40869      302.40869      28078.902      28078.902     -1179.3198     -1179.3198    
Loop time of 46.5242 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.857 ns/day, 12.923 hours/ns, 21.494 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    | 46.442     | 46.442     | 46.442     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014863   | 0.014863   | 0.014863   |   0.0 |  0.03
Output  | 2.2733e-05 | 2.2733e-05 | 2.2733e-05 |   0.0 |  0.00
Modify  | 0.061672   | 0.061672   | 0.061672   |   0.0 |  0.13
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:       221858 ave      221858 max      221858 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221858
Ave neighs/atom = 110.929
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.465537998347, Press = 3.47158813009884
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  -10434.93      -10434.93      -10513.07      -10513.07       302.40869      302.40869      28078.902      28078.902     -1179.3198     -1179.3198    
     13000  -10434.5       -10434.5       -10517.057     -10517.057      319.50256      319.50256      28082.955      28082.955     -1814.9955     -1814.9955    
Loop time of 46.4626 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.860 ns/day, 12.906 hours/ns, 21.523 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    | 46.381     | 46.381     | 46.381     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014933   | 0.014933   | 0.014933   |   0.0 |  0.03
Output  | 3.166e-05  | 3.166e-05  | 3.166e-05  |   0.0 |  0.00
Modify  | 0.061663   | 0.061663   | 0.061663   |   0.0 |  0.13
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:       221606 ave      221606 max      221606 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221606
Ave neighs/atom = 110.803
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.537212161714, Press = -0.133051611560134
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  -10434.5       -10434.5       -10517.057     -10517.057      319.50256      319.50256      28082.955      28082.955     -1814.9955     -1814.9955    
     14000  -10431.84      -10431.84      -10511.66      -10511.66       308.9106       308.9106       28085.507      28085.507     -1413.0946     -1413.0946    
Loop time of 46.5483 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.856 ns/day, 12.930 hours/ns, 21.483 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    | 46.466     | 46.466     | 46.466     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01495    | 0.01495    | 0.01495    |   0.0 |  0.03
Output  | 5.2518e-05 | 5.2518e-05 | 5.2518e-05 |   0.0 |  0.00
Modify  | 0.061628   | 0.061628   | 0.061628   |   0.0 |  0.13
Other   |            | 0.005368   |            |       |  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:       221834 ave      221834 max      221834 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221834
Ave neighs/atom = 110.917
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.700234998297, Press = -5.50073421770259
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  -10431.84      -10431.84      -10511.66      -10511.66       308.9106       308.9106       28085.507      28085.507     -1413.0946     -1413.0946    
     15000  -10431.823     -10431.823     -10513.796     -10513.796      317.24037      317.24037      28043.262      28043.262      714.88679      714.88679    
Loop time of 46.4747 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.859 ns/day, 12.910 hours/ns, 21.517 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    | 46.393     | 46.393     | 46.393     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01499    | 0.01499    | 0.01499    |   0.0 |  0.03
Output  | 3.0257e-05 | 3.0257e-05 | 3.0257e-05 |   0.0 |  0.00
Modify  | 0.06164    | 0.06164    | 0.06164    |   0.0 |  0.13
Other   |            | 0.005345   |            |       |  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:       221668 ave      221668 max      221668 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221668
Ave neighs/atom = 110.834
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.709565604386, Press = -7.11970723020513
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  -10431.823     -10431.823     -10513.796     -10513.796      317.24037      317.24037      28043.262      28043.262      714.88679      714.88679    
     16000  -10432.562     -10432.562     -10515.89      -10515.89       322.48605      322.48605      28021.553      28021.553      1872.8929      1872.8929    
Loop time of 46.3966 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.862 ns/day, 12.888 hours/ns, 21.553 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    | 46.315     | 46.315     | 46.315     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014996   | 0.014996   | 0.014996   |   0.0 |  0.03
Output  | 2.9396e-05 | 2.9396e-05 | 2.9396e-05 |   0.0 |  0.00
Modify  | 0.061708   | 0.061708   | 0.061708   |   0.0 |  0.13
Other   |            | 0.005333   |            |       |  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:       221774 ave      221774 max      221774 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221774
Ave neighs/atom = 110.887
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 = 312.694721304499, Press = -1.93624788448791
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  -10432.562     -10432.562     -10515.89      -10515.89       322.48605      322.48605      28021.553      28021.553      1872.8929      1872.8929    
     17000  -10435.568     -10435.568     -10517.344     -10517.344      316.48172      316.48172      28017.854      28017.854      1818.6561      1818.6561    
Loop time of 46.3995 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.862 ns/day, 12.889 hours/ns, 21.552 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    | 46.318     | 46.318     | 46.318     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014906   | 0.014906   | 0.014906   |   0.0 |  0.03
Output  | 2.2512e-05 | 2.2512e-05 | 2.2512e-05 |   0.0 |  0.00
Modify  | 0.061663   | 0.061663   | 0.061663   |   0.0 |  0.13
Other   |            | 0.005318   |            |       |  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:       221944 ave      221944 max      221944 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221944
Ave neighs/atom = 110.972
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.758647921189, Press = 1.43682006364347
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  -10435.568     -10435.568     -10517.344     -10517.344      316.48172      316.48172      28017.854      28017.854      1818.6561      1818.6561    
     18000  -10432.966     -10432.966     -10514.163     -10514.163      314.24101      314.24101      28035.783      28035.783      1342.4992      1342.4992    
Loop time of 46.4085 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.862 ns/day, 12.891 hours/ns, 21.548 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    | 46.327     | 46.327     | 46.327     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01485    | 0.01485    | 0.01485    |   0.0 |  0.03
Output  | 3.2321e-05 | 3.2321e-05 | 3.2321e-05 |   0.0 |  0.00
Modify  | 0.061652   | 0.061652   | 0.061652   |   0.0 |  0.13
Other   |            | 0.005368   |            |       |  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:       222094 ave      222094 max      222094 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 222094
Ave neighs/atom = 111.047
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.608042717, Press = 3.40488917564086
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  -10432.966     -10432.966     -10514.163     -10514.163      314.24101      314.24101      28035.783      28035.783      1342.4992      1342.4992    
     19000  -10436.489     -10436.489     -10517.076     -10517.076      311.87994      311.87994      28048.932      28048.932      253.90293      253.90293    
Loop time of 46.5294 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.857 ns/day, 12.925 hours/ns, 21.492 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    | 46.448     | 46.448     | 46.448     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014853   | 0.014853   | 0.014853   |   0.0 |  0.03
Output  | 2.9295e-05 | 2.9295e-05 | 2.9295e-05 |   0.0 |  0.00
Modify  | 0.061688   | 0.061688   | 0.061688   |   0.0 |  0.13
Other   |            | 0.005359   |            |       |  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:       221966 ave      221966 max      221966 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221966
Ave neighs/atom = 110.983
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.575662701646, Press = 3.95340299532147
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  -10436.489     -10436.489     -10517.076     -10517.076      311.87994      311.87994      28048.932      28048.932      253.90293      253.90293    
     20000  -10433.686     -10433.686     -10514.6       -10514.6        313.14474      313.14474      28081.405      28081.405     -1317.0956     -1317.0956    
Loop time of 46.5732 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.855 ns/day, 12.937 hours/ns, 21.472 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    | 46.491     | 46.491     | 46.491     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014887   | 0.014887   | 0.014887   |   0.0 |  0.03
Output  | 3.0256e-05 | 3.0256e-05 | 3.0256e-05 |   0.0 |  0.00
Modify  | 0.061675   | 0.061675   | 0.061675   |   0.0 |  0.13
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:       221966 ave      221966 max      221966 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221966
Ave neighs/atom = 110.983
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.438233580593, Press = 3.10785945217567
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  -10433.686     -10433.686     -10514.6       -10514.6        313.14474      313.14474      28081.405      28081.405     -1317.0956     -1317.0956    
     21000  -10438.371     -10438.371     -10517.021     -10517.021      304.38517      304.38517      28115.633      28115.633     -3479.8524     -3479.8524    
Loop time of 46.5321 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.857 ns/day, 12.926 hours/ns, 21.491 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    | 46.45      | 46.45      | 46.45      |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01493    | 0.01493    | 0.01493    |   0.0 |  0.03
Output  | 2.2562e-05 | 2.2562e-05 | 2.2562e-05 |   0.0 |  0.00
Modify  | 0.061742   | 0.061742   | 0.061742   |   0.0 |  0.13
Other   |            | 0.005279   |            |       |  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:       221684 ave      221684 max      221684 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221684
Ave neighs/atom = 110.842
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.499111483959, Press = -0.0516103848277956
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  -10438.371     -10438.371     -10517.021     -10517.021      304.38517      304.38517      28115.633      28115.633     -3479.8524     -3479.8524    
     22000  -10434.017     -10434.017     -10516.346     -10516.346      318.6201       318.6201       28103.763      28103.763     -2666.95       -2666.95      
Loop time of 46.4216 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.861 ns/day, 12.895 hours/ns, 21.542 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    | 46.34      | 46.34      | 46.34      |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014883   | 0.014883   | 0.014883   |   0.0 |  0.03
Output  | 3.166e-05  | 3.166e-05  | 3.166e-05  |   0.0 |  0.00
Modify  | 0.061695   | 0.061695   | 0.061695   |   0.0 |  0.13
Other   |            | 0.005258   |            |       |  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:       221830 ave      221830 max      221830 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221830
Ave neighs/atom = 110.915
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 = 312.348597349981, Press = -2.582628241602
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  -10434.017     -10434.017     -10516.346     -10516.346      318.6201       318.6201       28103.763      28103.763     -2666.95       -2666.95      
     23000  -10432.909     -10432.909     -10512.79      -10512.79       309.14918      309.14918      28064.78       28064.78      -252.61663     -252.61663    
Loop time of 46.4065 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.862 ns/day, 12.891 hours/ns, 21.549 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    | 46.325     | 46.325     | 46.325     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014939   | 0.014939   | 0.014939   |   0.0 |  0.03
Output  | 2.9165e-05 | 2.9165e-05 | 2.9165e-05 |   0.0 |  0.00
Modify  | 0.06166    | 0.06166    | 0.06166    |   0.0 |  0.13
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:       221792 ave      221792 max      221792 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221792
Ave neighs/atom = 110.896
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 = 312.384551458732, Press = -1.4735696452637
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  -10432.909     -10432.909     -10512.79      -10512.79       309.14918      309.14918      28064.78       28064.78      -252.61663     -252.61663    
     24000  -10431.306     -10431.306     -10513.632     -10513.632      318.60893      318.60893      28050.997      28050.997      498.41731      498.41731    
Loop time of 46.4043 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.862 ns/day, 12.890 hours/ns, 21.550 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    | 46.322     | 46.322     | 46.322     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014945   | 0.014945   | 0.014945   |   0.0 |  0.03
Output  | 3.0027e-05 | 3.0027e-05 | 3.0027e-05 |   0.0 |  0.00
Modify  | 0.061722   | 0.061722   | 0.061722   |   0.0 |  0.13
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:       221710 ave      221710 max      221710 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221710
Ave neighs/atom = 110.855
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 = 312.434802214012, Press = -0.573258138726019
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  -10431.306     -10431.306     -10513.632     -10513.632      318.60893      318.60893      28050.997      28050.997      498.41731      498.41731    
     25000  -10434.445     -10434.445     -10515.824     -10515.824      314.94543      314.94543      28031.861      28031.861      1464.6177      1464.6177    
Loop time of 46.4478 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.860 ns/day, 12.902 hours/ns, 21.530 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    | 46.366     | 46.366     | 46.366     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014967   | 0.014967   | 0.014967   |   0.0 |  0.03
Output  | 2.8113e-05 | 2.8113e-05 | 2.8113e-05 |   0.0 |  0.00
Modify  | 0.061663   | 0.061663   | 0.061663   |   0.0 |  0.13
Other   |            | 0.005279   |            |       |  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:       221920 ave      221920 max      221920 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221920
Ave neighs/atom = 110.96
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.65046858287, Press = -0.277418892109172
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  -10434.445     -10434.445     -10515.824     -10515.824      314.94543      314.94543      28031.861      28031.861      1464.6177      1464.6177    
     26000  -10430.666     -10430.666     -10515.518     -10515.518      328.38409      328.38409      28017.787      28017.787      2386.0145      2386.0145    
Loop time of 46.314 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.866 ns/day, 12.865 hours/ns, 21.592 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    | 46.232     | 46.232     | 46.232     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014852   | 0.014852   | 0.014852   |   0.0 |  0.03
Output  | 2.2573e-05 | 2.2573e-05 | 2.2573e-05 |   0.0 |  0.00
Modify  | 0.061612   | 0.061612   | 0.061612   |   0.0 |  0.13
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:       222074 ave      222074 max      222074 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 222074
Ave neighs/atom = 111.037
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.683434935621, Press = 1.85209079305032
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  -10430.666     -10430.666     -10515.518     -10515.518      328.38409      328.38409      28017.787      28017.787      2386.0145      2386.0145    
     27000  -10435.033     -10435.033     -10517.33      -10517.33       318.49518      318.49518      28010.584      28010.584      2267.3781      2267.3781    
Loop time of 46.4253 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.861 ns/day, 12.896 hours/ns, 21.540 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    | 46.343     | 46.343     | 46.343     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014942   | 0.014942   | 0.014942   |   0.0 |  0.03
Output  | 3.1589e-05 | 3.1589e-05 | 3.1589e-05 |   0.0 |  0.00
Modify  | 0.061658   | 0.061658   | 0.061658   |   0.0 |  0.13
Other   |            | 0.005278   |            |       |  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:       222144 ave      222144 max      222144 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 222144
Ave neighs/atom = 111.072
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.808134673543, Press = 6.13427605524392
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  -10435.033     -10435.033     -10517.33      -10517.33       318.49518      318.49518      28010.584      28010.584      2267.3781      2267.3781    
     28000  -10433.482     -10433.482     -10513.364     -10513.364      309.1533       309.1533       28071.952      28071.952     -815.80292     -815.80292    
Loop time of 46.5001 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.858 ns/day, 12.917 hours/ns, 21.505 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    | 46.418     | 46.418     | 46.418     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014904   | 0.014904   | 0.014904   |   0.0 |  0.03
Output  | 3.0046e-05 | 3.0046e-05 | 3.0046e-05 |   0.0 |  0.00
Modify  | 0.061694   | 0.061694   | 0.061694   |   0.0 |  0.13
Other   |            | 0.005295   |            |       |  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:       222234 ave      222234 max      222234 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 222234
Ave neighs/atom = 111.117
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.828917796082, Press = 3.82416677771423
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  -10433.482     -10433.482     -10513.364     -10513.364      309.1533       309.1533       28071.952      28071.952     -815.80292     -815.80292    
     29000  -10433.701     -10433.701     -10514.635     -10514.635      313.22388      313.22388      28076.598      28076.598     -967.01569     -967.01569    
Loop time of 46.4158 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.861 ns/day, 12.893 hours/ns, 21.544 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    | 46.334     | 46.334     | 46.334     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014853   | 0.014853   | 0.014853   |   0.0 |  0.03
Output  | 2.9185e-05 | 2.9185e-05 | 2.9185e-05 |   0.0 |  0.00
Modify  | 0.061668   | 0.061668   | 0.061668   |   0.0 |  0.13
Other   |            | 0.005295   |            |       |  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:       221914 ave      221914 max      221914 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221914
Ave neighs/atom = 110.957
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.837749715812, Press = 1.57612251331049
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  -10433.701     -10433.701     -10514.635     -10514.635      313.22388      313.22388      28076.598      28076.598     -967.01569     -967.01569    
     30000  -10433.757     -10433.757     -10515.175     -10515.175      315.09773      315.09773      28079.562      28079.562     -1260.1108     -1260.1108    
Loop time of 46.4389 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.861 ns/day, 12.900 hours/ns, 21.534 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    | 46.357     | 46.357     | 46.357     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014887   | 0.014887   | 0.014887   |   0.0 |  0.03
Output  | 2.5858e-05 | 2.5858e-05 | 2.5858e-05 |   0.0 |  0.00
Modify  | 0.061671   | 0.061671   | 0.061671   |   0.0 |  0.13
Other   |            | 0.00528    |            |       |  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:       221942 ave      221942 max      221942 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221942
Ave neighs/atom = 110.971
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.875702191305, Press = 0.16649116663557
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  -10433.757     -10433.757     -10515.175     -10515.175      315.09773      315.09773      28079.562      28079.562     -1260.1108     -1260.1108    
     31000  -10436.247     -10436.247     -10515.059     -10515.059      305.01217      305.01217      28065.989      28065.989     -631.18031     -631.18031    
Loop time of 46.5274 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.857 ns/day, 12.924 hours/ns, 21.493 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    | 46.445     | 46.445     | 46.445     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014979   | 0.014979   | 0.014979   |   0.0 |  0.03
Output  | 3.192e-05  | 3.192e-05  | 3.192e-05  |   0.0 |  0.00
Modify  | 0.061727   | 0.061727   | 0.061727   |   0.0 |  0.13
Other   |            | 0.005295   |            |       |  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:       221864 ave      221864 max      221864 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221864
Ave neighs/atom = 110.932
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.764102029672, Press = -1.33789528982972
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  -10436.247     -10436.247     -10515.059     -10515.059      305.01217      305.01217      28065.989      28065.989     -631.18031     -631.18031    
     32000  -10432.165     -10432.165     -10514.383     -10514.383      318.19304      318.19304      28033.106      28033.106      1411.4572      1411.4572    
Loop time of 46.3793 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.863 ns/day, 12.883 hours/ns, 21.561 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    | 46.297     | 46.297     | 46.297     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014915   | 0.014915   | 0.014915   |   0.0 |  0.03
Output  | 2.9897e-05 | 2.9897e-05 | 2.9897e-05 |   0.0 |  0.00
Modify  | 0.061652   | 0.061652   | 0.061652   |   0.0 |  0.13
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:       221828 ave      221828 max      221828 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221828
Ave neighs/atom = 110.914
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.762295096262, Press = -2.02023933491533
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  -10432.165     -10432.165     -10514.383     -10514.383      318.19304      318.19304      28033.106      28033.106      1411.4572      1411.4572    
     33000  -10435.169     -10435.169     -10517.55      -10517.55       318.82399      318.82399      28004.096      28004.096      2691.6293      2691.6293    
Loop time of 46.4305 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.861 ns/day, 12.897 hours/ns, 21.538 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    | 46.349     | 46.349     | 46.349     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014917   | 0.014917   | 0.014917   |   0.0 |  0.03
Output  | 3.0417e-05 | 3.0417e-05 | 3.0417e-05 |   0.0 |  0.00
Modify  | 0.061598   | 0.061598   | 0.061598   |   0.0 |  0.13
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:       221956 ave      221956 max      221956 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221956
Ave neighs/atom = 110.978
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.8092944505, Press = -0.0326217610724166
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  -10435.169     -10435.169     -10517.55      -10517.55       318.82399      318.82399      28004.096      28004.096      2691.6293      2691.6293    
     34000  -10437.029     -10437.029     -10516.18      -10516.18       306.32253      306.32253      28031.218      28031.218      1246.0831      1246.0831    
Loop time of 46.5257 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.857 ns/day, 12.924 hours/ns, 21.493 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    | 46.444     | 46.444     | 46.444     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014957   | 0.014957   | 0.014957   |   0.0 |  0.03
Output  | 2.2582e-05 | 2.2582e-05 | 2.2582e-05 |   0.0 |  0.00
Modify  | 0.061527   | 0.061527   | 0.061527   |   0.0 |  0.13
Other   |            | 0.005277   |            |       |  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:       222222 ave      222222 max      222222 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 222222
Ave neighs/atom = 111.111
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.826516090032, Press = 1.14846019468485
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  -10437.029     -10437.029     -10516.18      -10516.18       306.32253      306.32253      28031.218      28031.218      1246.0831      1246.0831    
     35000  -10432.564     -10432.564     -10514.083     -10514.083      315.48828      315.48828      28053.536      28053.536      169.04461      169.04461    
Loop time of 46.4925 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.858 ns/day, 12.915 hours/ns, 21.509 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    | 46.411     | 46.411     | 46.411     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014979   | 0.014979   | 0.014979   |   0.0 |  0.03
Output  | 3.1058e-05 | 3.1058e-05 | 3.1058e-05 |   0.0 |  0.00
Modify  | 0.061649   | 0.061649   | 0.061649   |   0.0 |  0.13
Other   |            | 0.005262   |            |       |  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:       222060 ave      222060 max      222060 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 222060
Ave neighs/atom = 111.03
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.770679846679, Press = 1.75153044446769
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  -10432.564     -10432.564     -10514.083     -10514.083      315.48828      315.48828      28053.536      28053.536      169.04461      169.04461    
     36000  -10435.824     -10435.824     -10517.637     -10517.637      316.62303      316.62303      28073.784      28073.784     -1211.985      -1211.985     
Loop time of 46.5474 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.856 ns/day, 12.930 hours/ns, 21.483 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    | 46.466     | 46.466     | 46.466     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014851   | 0.014851   | 0.014851   |   0.0 |  0.03
Output  | 3.1619e-05 | 3.1619e-05 | 3.1619e-05 |   0.0 |  0.00
Modify  | 0.061692   | 0.061692   | 0.061692   |   0.0 |  0.13
Other   |            | 0.005293   |            |       |  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:       221830 ave      221830 max      221830 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221830
Ave neighs/atom = 110.915
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 = 312.752720201045, Press = 1.71054947311193
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  -10435.824     -10435.824     -10517.637     -10517.637      316.62303      316.62303      28073.784      28073.784     -1211.985      -1211.985     
     37000  -10431.04      -10431.04      -10513.229     -10513.229      318.07884      318.07884      28115.285      28115.285     -3026.5254     -3026.5254    
Loop time of 46.4922 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.858 ns/day, 12.914 hours/ns, 21.509 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    | 46.41      | 46.41      | 46.41      |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014863   | 0.014863   | 0.014863   |   0.0 |  0.03
Output  | 2.9916e-05 | 2.9916e-05 | 2.9916e-05 |   0.0 |  0.00
Modify  | 0.061764   | 0.061764   | 0.061764   |   0.0 |  0.13
Other   |            | 0.005269   |            |       |  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:       221984 ave      221984 max      221984 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221984
Ave neighs/atom = 110.992
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.754083415851, Press = 1.15510198315595
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  -10431.04      -10431.04      -10513.229     -10513.229      318.07884      318.07884      28115.285      28115.285     -3026.5254     -3026.5254    
     38000  -10435.385     -10435.385     -10515.415     -10515.415      309.72623      309.72623      28113.078      28113.078     -3185.1638     -3185.1638    
Loop time of 46.3341 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.865 ns/day, 12.871 hours/ns, 21.582 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    | 46.252     | 46.252     | 46.252     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014866   | 0.014866   | 0.014866   |   0.0 |  0.03
Output  | 2.9265e-05 | 2.9265e-05 | 2.9265e-05 |   0.0 |  0.00
Modify  | 0.061705   | 0.061705   | 0.061705   |   0.0 |  0.13
Other   |            | 0.005306   |            |       |  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:       221598 ave      221598 max      221598 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221598
Ave neighs/atom = 110.799
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.837093425775, Press = -1.03599429027266
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  -10435.385     -10435.385     -10515.415     -10515.415      309.72623      309.72623      28113.078      28113.078     -3185.1638     -3185.1638    
     39000  -10434.525     -10434.525     -10514.779     -10514.779      310.58796      310.58796      28060.365      28060.365     -153.85545     -153.85545    
Loop time of 46.4266 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.861 ns/day, 12.896 hours/ns, 21.539 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    | 46.345     | 46.345     | 46.345     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014937   | 0.014937   | 0.014937   |   0.0 |  0.03
Output  | 2.2593e-05 | 2.2593e-05 | 2.2593e-05 |   0.0 |  0.00
Modify  | 0.061646   | 0.061646   | 0.061646   |   0.0 |  0.13
Other   |            | 0.005272   |            |       |  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:       221796 ave      221796 max      221796 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221796
Ave neighs/atom = 110.898
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 = 312.851063905628, Press = -0.264476560405712
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  -10434.525     -10434.525     -10514.779     -10514.779      310.58796      310.58796      28060.365      28060.365     -153.85545     -153.85545    
     40000  -10434.297     -10434.297     -10515.002     -10515.002      312.33553      312.33553      28052.917      28052.917      123.49139      123.49139    
Loop time of 46.5127 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.858 ns/day, 12.920 hours/ns, 21.500 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    | 46.431     | 46.431     | 46.431     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014853   | 0.014853   | 0.014853   |   0.0 |  0.03
Output  | 3.5427e-05 | 3.5427e-05 | 3.5427e-05 |   0.0 |  0.00
Modify  | 0.061728   | 0.061728   | 0.061728   |   0.0 |  0.13
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:       221894 ave      221894 max      221894 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221894
Ave neighs/atom = 110.947
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.862298401459, Press = -0.233499590114823
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  -10434.297     -10434.297     -10515.002     -10515.002      312.33553      312.33553      28052.917      28052.917      123.49139      123.49139    
     41000  -10436.497     -10436.497     -10514.452     -10514.452      301.69522      301.69522      28032.44       28032.44       1223.406       1223.406     
Loop time of 46.4132 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.862 ns/day, 12.893 hours/ns, 21.546 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    | 46.331     | 46.331     | 46.331     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014924   | 0.014924   | 0.014924   |   0.0 |  0.03
Output  | 3.0417e-05 | 3.0417e-05 | 3.0417e-05 |   0.0 |  0.00
Modify  | 0.06166    | 0.06166    | 0.06166    |   0.0 |  0.13
Other   |            | 0.00528    |            |       |  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:       221904 ave      221904 max      221904 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221904
Ave neighs/atom = 110.952
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.811209447727, Press = 0.37186588646396
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  -10436.497     -10436.497     -10514.452     -10514.452      301.69522      301.69522      28032.44       28032.44       1223.406       1223.406     
     42000  -10433.621     -10433.621     -10515.921     -10515.921      318.51284      318.51284      28023.714      28023.714      1660.1095      1660.1095    
Loop time of 46.4827 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.859 ns/day, 12.912 hours/ns, 21.513 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    | 46.401     | 46.401     | 46.401     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015019   | 0.015019   | 0.015019   |   0.0 |  0.03
Output  | 3.0037e-05 | 3.0037e-05 | 3.0037e-05 |   0.0 |  0.00
Modify  | 0.061652   | 0.061652   | 0.061652   |   0.0 |  0.13
Other   |            | 0.00526    |            |       |  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:       221928 ave      221928 max      221928 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221928
Ave neighs/atom = 110.964
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.816217254233, Press = 1.37367091942881
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  -10433.621     -10433.621     -10515.921     -10515.921      318.51284      318.51284      28023.714      28023.714      1660.1095      1660.1095    
     43000  -10432.442     -10432.442     -10513.122     -10513.122      312.23968      312.23968      28035.373      28035.373      1352.104       1352.104     
Loop time of 46.4774 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.859 ns/day, 12.910 hours/ns, 21.516 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    | 46.395     | 46.395     | 46.395     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014852   | 0.014852   | 0.014852   |   0.0 |  0.03
Output  | 2.2602e-05 | 2.2602e-05 | 2.2602e-05 |   0.0 |  0.00
Modify  | 0.061746   | 0.061746   | 0.061746   |   0.0 |  0.13
Other   |            | 0.005295   |            |       |  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:       221896 ave      221896 max      221896 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221896
Ave neighs/atom = 110.948
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.846553358146, Press = 2.78265818597092
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  -10432.442     -10432.442     -10513.122     -10513.122      312.23968      312.23968      28035.373      28035.373      1352.104       1352.104     
     44000  -10430.491     -10430.491     -10513.135     -10513.135      319.84013      319.84013      28076.99       28076.99      -799.46691     -799.46691    
Loop time of 46.4578 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.860 ns/day, 12.905 hours/ns, 21.525 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    | 46.376     | 46.376     | 46.376     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014885   | 0.014885   | 0.014885   |   0.0 |  0.03
Output  | 3.162e-05  | 3.162e-05  | 3.162e-05  |   0.0 |  0.00
Modify  | 0.061717   | 0.061717   | 0.061717   |   0.0 |  0.13
Other   |            | 0.005279   |            |       |  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:       221886 ave      221886 max      221886 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221886
Ave neighs/atom = 110.943
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.867763274462, Press = 2.27615013632503
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  -10430.491     -10430.491     -10513.135     -10513.135      319.84013      319.84013      28076.99       28076.99      -799.46691     -799.46691    
     45000  -10431.852     -10431.852     -10513.925     -10513.925      317.63018      317.63018      28097.864      28097.864     -2031.2457     -2031.2457    
Loop time of 46.3247 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.865 ns/day, 12.868 hours/ns, 21.587 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    | 46.243     | 46.243     | 46.243     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014879   | 0.014879   | 0.014879   |   0.0 |  0.03
Output  | 3.0477e-05 | 3.0477e-05 | 3.0477e-05 |   0.0 |  0.00
Modify  | 0.061646   | 0.061646   | 0.061646   |   0.0 |  0.13
Other   |            | 0.005264   |            |       |  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:       221814 ave      221814 max      221814 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221814
Ave neighs/atom = 110.907
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 = 312.920219299085, Press = 0.95251684863736
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  -10431.852     -10431.852     -10513.925     -10513.925      317.63018      317.63018      28097.864      28097.864     -2031.2457     -2031.2457    
     46000  -10434.447     -10434.447     -10514.302     -10514.302      309.04409      309.04409      28089.404      28089.404     -1740.7095     -1740.7095    
Loop time of 46.352 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.864 ns/day, 12.876 hours/ns, 21.574 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    | 46.27      | 46.27      | 46.27      |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014916   | 0.014916   | 0.014916   |   0.0 |  0.03
Output  | 3.0357e-05 | 3.0357e-05 | 3.0357e-05 |   0.0 |  0.00
Modify  | 0.06173    | 0.06173    | 0.06173    |   0.0 |  0.13
Other   |            | 0.005279   |            |       |  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:       221712 ave      221712 max      221712 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221712
Ave neighs/atom = 110.856
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 = 312.896524043483, Press = -0.0290788119810756
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  -10434.447     -10434.447     -10514.302     -10514.302      309.04409      309.04409      28089.404      28089.404     -1740.7095     -1740.7095    
     47000  -10436.868     -10436.868     -10516.98      -10516.98       310.04238      310.04238      28069.3        28069.3       -935.49452     -935.49452    
Loop time of 46.4305 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.861 ns/day, 12.897 hours/ns, 21.538 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    | 46.349     | 46.349     | 46.349     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014844   | 0.014844   | 0.014844   |   0.0 |  0.03
Output  | 2.2782e-05 | 2.2782e-05 | 2.2782e-05 |   0.0 |  0.00
Modify  | 0.061719   | 0.061719   | 0.061719   |   0.0 |  0.13
Other   |            | 0.005264   |            |       |  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:       221820 ave      221820 max      221820 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221820
Ave neighs/atom = 110.91
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 = 312.901258426596, Press = -0.534483982368942
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  -10436.868     -10436.868     -10516.98      -10516.98       310.04238      310.04238      28069.3        28069.3       -935.49452     -935.49452    
     48000  -10433.608     -10433.608     -10512.638     -10512.638      305.85558      305.85558      28044.557      28044.557      935.54405      935.54405    
Loop time of 46.4608 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.860 ns/day, 12.906 hours/ns, 21.524 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    | 46.379     | 46.379     | 46.379     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014896   | 0.014896   | 0.014896   |   0.0 |  0.03
Output  | 3.2141e-05 | 3.2141e-05 | 3.2141e-05 |   0.0 |  0.00
Modify  | 0.061731   | 0.061731   | 0.061731   |   0.0 |  0.13
Other   |            | 0.005279   |            |       |  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:       221810 ave      221810 max      221810 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221810
Ave neighs/atom = 110.905
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 = 312.8370752991, Press = -0.541235327959582
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  -10433.608     -10433.608     -10512.638     -10512.638      305.85558      305.85558      28044.557      28044.557      935.54405      935.54405    
     49000  -10438.24      -10438.24      -10517.401     -10517.401      306.36057      306.36057      27985.849      27985.849      3485.8835      3485.8835    
Loop time of 46.5116 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.858 ns/day, 12.920 hours/ns, 21.500 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    | 46.43      | 46.43      | 46.43      |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014897   | 0.014897   | 0.014897   |   0.0 |  0.03
Output  | 3.3262e-05 | 3.3262e-05 | 3.3262e-05 |   0.0 |  0.00
Modify  | 0.061691   | 0.061691   | 0.061691   |   0.0 |  0.13
Other   |            | 0.005267   |            |       |  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:       221718 ave      221718 max      221718 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221718
Ave neighs/atom = 110.859
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 = 312.822691522953, Press = -0.140084232475812
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  -10438.24      -10438.24      -10517.401     -10517.401      306.36057      306.36057      27985.849      27985.849      3485.8835      3485.8835    
     50000  -10432.565     -10432.565     -10513.759     -10513.759      314.22851      314.22851      27983.306      27983.306      4065.1281      4065.1281    
Loop time of 46.4384 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.861 ns/day, 12.900 hours/ns, 21.534 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    | 46.356     | 46.356     | 46.356     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014967   | 0.014967   | 0.014967   |   0.0 |  0.03
Output  | 2.9696e-05 | 2.9696e-05 | 2.9696e-05 |   0.0 |  0.00
Modify  | 0.061716   | 0.061716   | 0.061716   |   0.0 |  0.13
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:       222212 ave      222212 max      222212 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 222212
Ave neighs/atom = 111.106
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.788700159535, Press = 1.76755589913619
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  -10432.565     -10432.565     -10513.759     -10513.759      314.22851      314.22851      27983.306      27983.306      4065.1281      4065.1281    
     51000  -10433.917     -10433.917     -10514.574     -10514.574      312.14844      312.14844      28039.354      28039.354      1049.1601      1049.1601    
Loop time of 46.4003 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.862 ns/day, 12.889 hours/ns, 21.552 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    | 46.318     | 46.318     | 46.318     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014822   | 0.014822   | 0.014822   |   0.0 |  0.03
Output  | 3.0237e-05 | 3.0237e-05 | 3.0237e-05 |   0.0 |  0.00
Modify  | 0.061716   | 0.061716   | 0.061716   |   0.0 |  0.13
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:       222022 ave      222022 max      222022 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 222022
Ave neighs/atom = 111.011
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.827959964139, Press = 1.53135154818298
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  -10433.917     -10433.917     -10514.574     -10514.574      312.14844      312.14844      28039.354      28039.354      1049.1601      1049.1601    
     52000  -10433.63      -10433.63      -10514.333     -10514.333      312.32753      312.32753      28065.265      28065.265     -573.66208     -573.66208    
Loop time of 46.4987 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.858 ns/day, 12.916 hours/ns, 21.506 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    | 46.417     | 46.417     | 46.417     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014911   | 0.014911   | 0.014911   |   0.0 |  0.03
Output  | 5.0324e-05 | 5.0324e-05 | 5.0324e-05 |   0.0 |  0.00
Modify  | 0.06161    | 0.06161    | 0.06161    |   0.0 |  0.13
Other   |            | 0.005284   |            |       |  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:       221936 ave      221936 max      221936 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221936
Ave neighs/atom = 110.968
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.788044297834, Press = 1.47141902058781
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  -10433.63      -10433.63      -10514.333     -10514.333      312.32753      312.32753      28065.265      28065.265     -573.66208     -573.66208    
     53000  -10437.868     -10437.868     -10516.735     -10516.735      305.22241      305.22241      28078.413      28078.413     -1484.7042     -1484.7042    
Loop time of 46.5858 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.855 ns/day, 12.941 hours/ns, 21.466 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    | 46.504     | 46.504     | 46.504     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014904   | 0.014904   | 0.014904   |   0.0 |  0.03
Output  | 3.2301e-05 | 3.2301e-05 | 3.2301e-05 |   0.0 |  0.00
Modify  | 0.061704   | 0.061704   | 0.061704   |   0.0 |  0.13
Other   |            | 0.005351   |            |       |  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:       221716 ave      221716 max      221716 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221716
Ave neighs/atom = 110.858
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 = 312.787356661135, Press = 1.02341855904612
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  -10437.868     -10437.868     -10516.735     -10516.735      305.22241      305.22241      28078.413      28078.413     -1484.7042     -1484.7042    
     54000  -10433.197     -10433.197     -10514.192     -10514.192      313.46193      313.46193      28096.724      28096.724     -2264.8587     -2264.8587    
Loop time of 46.5097 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.858 ns/day, 12.919 hours/ns, 21.501 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    | 46.428     | 46.428     | 46.428     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014898   | 0.014898   | 0.014898   |   0.0 |  0.03
Output  | 3.0247e-05 | 3.0247e-05 | 3.0247e-05 |   0.0 |  0.00
Modify  | 0.061763   | 0.061763   | 0.061763   |   0.0 |  0.13
Other   |            | 0.005363   |            |       |  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:       221830 ave      221830 max      221830 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221830
Ave neighs/atom = 110.915
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 = 312.771432470673, Press = 0.475278120512777
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  -10433.197     -10433.197     -10514.192     -10514.192      313.46193      313.46193      28096.724      28096.724     -2264.8587     -2264.8587    
     55000  -10434.029     -10434.029     -10513.738     -10513.738      308.48349      308.48349      28092.236      28092.236     -1988.2325     -1988.2325    
Loop time of 46.2806 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.867 ns/day, 12.856 hours/ns, 21.607 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    | 46.199     | 46.199     | 46.199     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014986   | 0.014986   | 0.014986   |   0.0 |  0.03
Output  | 3.0958e-05 | 3.0958e-05 | 3.0958e-05 |   0.0 |  0.00
Modify  | 0.061695   | 0.061695   | 0.061695   |   0.0 |  0.13
Other   |            | 0.005385   |            |       |  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:       221508 ave      221508 max      221508 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221508
Ave neighs/atom = 110.754
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.769111586523, Press = -0.562321793533256
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  -10434.029     -10434.029     -10513.738     -10513.738      308.48349      308.48349      28092.236      28092.236     -1988.2325     -1988.2325    
     56000  -10432.24      -10432.24      -10513.214     -10513.214      313.37798      313.37798      28055.269      28055.269      198.36913      198.36913    
Loop time of 46.4685 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.859 ns/day, 12.908 hours/ns, 21.520 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    | 46.386     | 46.386     | 46.386     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015103   | 0.015103   | 0.015103   |   0.0 |  0.03
Output  | 2.2733e-05 | 2.2733e-05 | 2.2733e-05 |   0.0 |  0.00
Modify  | 0.061846   | 0.061846   | 0.061846   |   0.0 |  0.13
Other   |            | 0.005788   |            |       |  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:       221476 ave      221476 max      221476 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221476
Ave neighs/atom = 110.738
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.774147953428, Press = -1.25720281526371
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  -10432.24      -10432.24      -10513.214     -10513.214      313.37798      313.37798      28055.269      28055.269      198.36913      198.36913    
     57000  -10434.293     -10434.293     -10516.119     -10516.119      316.673        316.673        28036.684      28036.684      825.21318      825.21318    
Loop time of 46.5163 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.857 ns/day, 12.921 hours/ns, 21.498 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    | 46.433     | 46.433     | 46.433     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015109   | 0.015109   | 0.015109   |   0.0 |  0.03
Output  | 3.3573e-05 | 3.3573e-05 | 3.3573e-05 |   0.0 |  0.00
Modify  | 0.06197    | 0.06197    | 0.06197    |   0.0 |  0.13
Other   |            | 0.00601    |            |       |  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:       221604 ave      221604 max      221604 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221604
Ave neighs/atom = 110.802
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.741684200709, Press = -0.123921063051798
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  -10434.293     -10434.293     -10516.119     -10516.119      316.673        316.673        28036.684      28036.684      825.21318      825.21318    
     58000  -10431.982     -10431.982     -10514.079     -10514.079      317.72451      317.72451      28046.541      28046.541      669.11376      669.11376    
Loop time of 46.6602 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.852 ns/day, 12.961 hours/ns, 21.432 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    | 46.57      | 46.57      | 46.57      |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.016874   | 0.016874   | 0.016874   |   0.0 |  0.04
Output  | 4.2069e-05 | 4.2069e-05 | 4.2069e-05 |   0.0 |  0.00
Modify  | 0.063926   | 0.063926   | 0.063926   |   0.0 |  0.14
Other   |            | 0.008999   |            |       |  0.02

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:       221876 ave      221876 max      221876 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221876
Ave neighs/atom = 110.938
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.705328774805, Press = 0.633491309948642
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  -10431.982     -10431.982     -10514.079     -10514.079      317.72451      317.72451      28046.541      28046.541      669.11376      669.11376    
     59000  -10435.334     -10435.334     -10516.099     -10516.099      312.5695       312.5695       28048.332      28048.332      359.75332      359.75332    
Loop time of 46.425 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.861 ns/day, 12.896 hours/ns, 21.540 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    | 46.343     | 46.343     | 46.343     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014935   | 0.014935   | 0.014935   |   0.0 |  0.03
Output  | 2.9726e-05 | 2.9726e-05 | 2.9726e-05 |   0.0 |  0.00
Modify  | 0.061758   | 0.061758   | 0.061758   |   0.0 |  0.13
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:       221968 ave      221968 max      221968 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221968
Ave neighs/atom = 110.984
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.714670201159, Press = 1.02095995566233
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  -10435.334     -10435.334     -10516.099     -10516.099      312.5695       312.5695       28048.332      28048.332      359.75332      359.75332    
     60000  -10432.982     -10432.982     -10514.1       -10514.1        313.93745      313.93745      28065.665      28065.665     -466.4852      -466.4852     
Loop time of 46.4465 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.860 ns/day, 12.902 hours/ns, 21.530 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    | 46.36      | 46.36      | 46.36      |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015804   | 0.015804   | 0.015804   |   0.0 |  0.03
Output  | 3.3713e-05 | 3.3713e-05 | 3.3713e-05 |   0.0 |  0.00
Modify  | 0.062747   | 0.062747   | 0.062747   |   0.0 |  0.14
Other   |            | 0.007453   |            |       |  0.02

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:       221828 ave      221828 max      221828 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221828
Ave neighs/atom = 110.914
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.697117962746, Press = 1.01136696567343
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  -10432.982     -10432.982     -10514.1       -10514.1        313.93745      313.93745      28065.665      28065.665     -466.4852      -466.4852     
     61000  -10432.214     -10432.214     -10514.768     -10514.768      319.49448      319.49448      28081.501      28081.501     -1402.023      -1402.023     
Loop time of 46.5237 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.857 ns/day, 12.923 hours/ns, 21.494 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    | 46.436     | 46.436     | 46.436     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.016333   | 0.016333   | 0.016333   |   0.0 |  0.04
Output  | 2.5377e-05 | 2.5377e-05 | 2.5377e-05 |   0.0 |  0.00
Modify  | 0.063198   | 0.063198   | 0.063198   |   0.0 |  0.14
Other   |            | 0.008467   |            |       |  0.02

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:       221754 ave      221754 max      221754 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221754
Ave neighs/atom = 110.877
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.681445746449, Press = 0.805034901672131
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  -10432.214     -10432.214     -10514.768     -10514.768      319.49448      319.49448      28081.501      28081.501     -1402.023      -1402.023     
     62000  -10435.593     -10435.593     -10516.474     -10516.474      313.01735      313.01735      28088.129      28088.129     -1983.4498     -1983.4498    
Loop time of 46.6506 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.852 ns/day, 12.959 hours/ns, 21.436 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    | 46.558     | 46.558     | 46.558     |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01766    | 0.01766    | 0.01766    |   0.0 |  0.04
Output  | 3.6398e-05 | 3.6398e-05 | 3.6398e-05 |   0.0 |  0.00
Modify  | 0.064853   | 0.064853   | 0.064853   |   0.0 |  0.14
Other   |            | 0.01046    |            |       |  0.02

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:       221740 ave      221740 max      221740 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221740
Ave neighs/atom = 110.87
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 = 312.67276084431, Press = 0.29855126604216
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  -10435.593     -10435.593     -10516.474     -10516.474      313.01735      313.01735      28088.129      28088.129     -1983.4498     -1983.4498    
     63000  -10435.692     -10435.692     -10515.345     -10515.345      308.26311      308.26311      28073.189      28073.189     -990.46224     -990.46224    
Loop time of 46.5849 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.855 ns/day, 12.940 hours/ns, 21.466 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    | 46.497     | 46.497     | 46.497     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.016121   | 0.016121   | 0.016121   |   0.0 |  0.03
Output  | 3.4205e-05 | 3.4205e-05 | 3.4205e-05 |   0.0 |  0.00
Modify  | 0.063201   | 0.063201   | 0.063201   |   0.0 |  0.14
Other   |            | 0.008086   |            |       |  0.02

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:       221832 ave      221832 max      221832 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221832
Ave neighs/atom = 110.916
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.712012670141, Press = -0.484474808182415
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  -10435.692     -10435.692     -10515.345     -10515.345      308.26311      308.26311      28073.189      28073.189     -990.46224     -990.46224    
     64000  -10432.294     -10432.294     -10514.398     -10514.398      317.75245      317.75245      28051.518      28051.518      239.50854      239.50854    
Loop time of 46.4933 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.858 ns/day, 12.915 hours/ns, 21.508 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    | 46.405     | 46.405     | 46.405     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.016405   | 0.016405   | 0.016405   |   0.0 |  0.04
Output  | 6.4141e-05 | 6.4141e-05 | 6.4141e-05 |   0.0 |  0.00
Modify  | 0.063331   | 0.063331   | 0.063331   |   0.0 |  0.14
Other   |            | 0.008484   |            |       |  0.02

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:       221884 ave      221884 max      221884 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221884
Ave neighs/atom = 110.942
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.727663488021, Press = -0.482877246624875
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  -10432.294     -10432.294     -10514.398     -10514.398      317.75245      317.75245      28051.518      28051.518      239.50854      239.50854    
     65000  -10432.602     -10432.602     -10513.757     -10513.757      314.08034      314.08034      28022.423      28022.423      1973.412       1973.412     
Loop time of 46.5031 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.858 ns/day, 12.918 hours/ns, 21.504 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    | 46.417     | 46.417     | 46.417     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015773   | 0.015773   | 0.015773   |   0.0 |  0.03
Output  | 6.6255e-05 | 6.6255e-05 | 6.6255e-05 |   0.0 |  0.00
Modify  | 0.06296    | 0.06296    | 0.06296    |   0.0 |  0.14
Other   |            | 0.007467   |            |       |  0.02

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:       221784 ave      221784 max      221784 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221784
Ave neighs/atom = 110.892
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 = 312.790889587481, Press = 0.0901337478293777
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  -10432.602     -10432.602     -10513.757     -10513.757      314.08034      314.08034      28022.423      28022.423      1973.412       1973.412     
     66000  -10432.325     -10432.325     -10515.301     -10515.301      321.12733      321.12733      28031.014      28031.014      1484.1696      1484.1696    
Loop time of 46.4646 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.859 ns/day, 12.907 hours/ns, 21.522 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    | 46.378     | 46.378     | 46.378     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015821   | 0.015821   | 0.015821   |   0.0 |  0.03
Output  | 6.5904e-05 | 6.5904e-05 | 6.5904e-05 |   0.0 |  0.00
Modify  | 0.062897   | 0.062897   | 0.062897   |   0.0 |  0.14
Other   |            | 0.007393   |            |       |  0.02

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:       221952 ave      221952 max      221952 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221952
Ave neighs/atom = 110.976
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.814544519092, Press = 0.757036761557255
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  -10432.325     -10432.325     -10515.301     -10515.301      321.12733      321.12733      28031.014      28031.014      1484.1696      1484.1696    
     67000  -10433.957     -10433.957     -10515.609     -10515.609      316.00484      316.00484      28044.958      28044.958      616.68175      616.68175    
Loop time of 46.5562 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.856 ns/day, 12.932 hours/ns, 21.479 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    | 46.469     | 46.469     | 46.469     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.016072   | 0.016072   | 0.016072   |   0.0 |  0.03
Output  | 6.396e-05  | 6.396e-05  | 6.396e-05  |   0.0 |  0.00
Modify  | 0.063203   | 0.063203   | 0.063203   |   0.0 |  0.14
Other   |            | 0.007936   |            |       |  0.02

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:       222044 ave      222044 max      222044 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 222044
Ave neighs/atom = 111.022
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.827733893319, Press = 0.729275060909923
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  -10433.957     -10433.957     -10515.609     -10515.609      316.00484      316.00484      28044.958      28044.958      616.68175      616.68175    
     68000  -10435.109     -10435.109     -10515.065     -10515.065      309.43682      309.43682      28051.892      28051.892      217.10785      217.10785    
Loop time of 46.6433 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.852 ns/day, 12.956 hours/ns, 21.439 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    | 46.556     | 46.556     | 46.556     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015963   | 0.015963   | 0.015963   |   0.0 |  0.03
Output  | 8.0542e-05 | 8.0542e-05 | 8.0542e-05 |   0.0 |  0.00
Modify  | 0.063065   | 0.063065   | 0.063065   |   0.0 |  0.14
Other   |            | 0.007698   |            |       |  0.02

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:       222048 ave      222048 max      222048 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 222048
Ave neighs/atom = 111.024
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.789935499202, Press = 0.742305451798133
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  -10435.109     -10435.109     -10515.065     -10515.065      309.43682      309.43682      28051.892      28051.892      217.10785      217.10785    
     69000  -10434.437     -10434.437     -10513.975     -10513.975      307.81677      307.81677      28069.013      28069.013     -668.8263      -668.8263     
Loop time of 46.6138 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.854 ns/day, 12.948 hours/ns, 21.453 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    | 46.523     | 46.523     | 46.523     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.016988   | 0.016988   | 0.016988   |   0.0 |  0.04
Output  | 6.9561e-05 | 6.9561e-05 | 6.9561e-05 |   0.0 |  0.00
Modify  | 0.064208   | 0.064208   | 0.064208   |   0.0 |  0.14
Other   |            | 0.009348   |            |       |  0.02

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:       221906 ave      221906 max      221906 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221906
Ave neighs/atom = 110.953
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.795960075317, Press = 0.791508998003669
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  -10434.437     -10434.437     -10513.975     -10513.975      307.81677      307.81677      28069.013      28069.013     -668.8263      -668.8263     
     70000  -10435.517     -10435.517     -10516.126     -10516.126      311.96614      311.96614      28105.199      28105.199     -2647.5805     -2647.5805    
Loop time of 46.6963 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.850 ns/day, 12.971 hours/ns, 21.415 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    | 46.601     | 46.601     | 46.601     |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.018061   | 0.018061   | 0.018061   |   0.0 |  0.04
Output  | 6.8238e-05 | 6.8238e-05 | 6.8238e-05 |   0.0 |  0.00
Modify  | 0.0658     | 0.0658     | 0.0658     |   0.0 |  0.14
Other   |            | 0.01126    |            |       |  0.02

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:       221698 ave      221698 max      221698 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221698
Ave neighs/atom = 110.849
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.744450442052, Press = 0.294677190022755
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  -10435.517     -10435.517     -10516.126     -10516.126      311.96614      311.96614      28105.199      28105.199     -2647.5805     -2647.5805    
     71000  -10432.041     -10432.041     -10514.752     -10514.752      320.10167      320.10167      28099.62       28099.62      -2253.8574     -2253.8574    
Loop time of 46.5994 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.854 ns/day, 12.944 hours/ns, 21.459 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    | 46.515     | 46.515     | 46.515     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015512   | 0.015512   | 0.015512   |   0.0 |  0.03
Output  | 6.8449e-05 | 6.8449e-05 | 6.8449e-05 |   0.0 |  0.00
Modify  | 0.062458   | 0.062458   | 0.062458   |   0.0 |  0.13
Other   |            | 0.006618   |            |       |  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:       221800 ave      221800 max      221800 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221800
Ave neighs/atom = 110.9
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 = 312.727271687893, Press = -0.392256171496577
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  -10432.041     -10432.041     -10514.752     -10514.752      320.10167      320.10167      28099.62       28099.62      -2253.8574     -2253.8574    
     72000  -10433.477     -10433.477     -10514.931     -10514.931      315.23634      315.23634      28057.985      28057.985     -142.76271     -142.76271    
Loop time of 46.7431 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.848 ns/day, 12.984 hours/ns, 21.394 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    | 46.649     | 46.649     | 46.649     |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.018049   | 0.018049   | 0.018049   |   0.0 |  0.04
Output  | 7.937e-05  | 7.937e-05  | 7.937e-05  |   0.0 |  0.00
Modify  | 0.06542    | 0.06542    | 0.06542    |   0.0 |  0.14
Other   |            | 0.01086    |            |       |  0.02

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:       221734 ave      221734 max      221734 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221734
Ave neighs/atom = 110.867
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 = 312.719092387757, Press = -0.41689820997406
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  -10433.477     -10433.477     -10514.931     -10514.931      315.23634      315.23634      28057.985      28057.985     -142.76271     -142.76271    
     73000  -10432.313     -10432.313     -10513.254     -10513.254      313.25005      313.25005      28043.034      28043.034      770.85866      770.85866    
Loop time of 46.7672 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.847 ns/day, 12.991 hours/ns, 21.383 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    | 46.67      | 46.67      | 46.67      |   0.0 | 99.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.018687   | 0.018687   | 0.018687   |   0.0 |  0.04
Output  | 8.2294e-05 | 8.2294e-05 | 8.2294e-05 |   0.0 |  0.00
Modify  | 0.066458   | 0.066458   | 0.066458   |   0.0 |  0.14
Other   |            | 0.01199    |            |       |  0.03

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:       221806 ave      221806 max      221806 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221806
Ave neighs/atom = 110.903
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.716100328176, Press = 0.0980751497980676
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  -10432.313     -10432.313     -10513.254     -10513.254      313.25005      313.25005      28043.034      28043.034      770.85866      770.85866    
     74000  -10437.02      -10437.02      -10516.373     -10516.373      307.10497      307.10497      28040.909      28040.909      609.52065      609.52065    
Loop time of 46.7094 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.850 ns/day, 12.975 hours/ns, 21.409 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    | 46.614     | 46.614     | 46.614     |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.018179   | 0.018179   | 0.018179   |   0.0 |  0.04
Output  | 5.315e-05  | 5.315e-05  | 5.315e-05  |   0.0 |  0.00
Modify  | 0.065691   | 0.065691   | 0.065691   |   0.0 |  0.14
Other   |            | 0.01108    |            |       |  0.02

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:       221630 ave      221630 max      221630 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221630
Ave neighs/atom = 110.815
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.694192895329, Press = 0.544489697731608
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  -10437.02      -10437.02      -10516.373     -10516.373      307.10497      307.10497      28040.909      28040.909      609.52065      609.52065    
     75000  -10432.528     -10432.528     -10515.835     -10515.835      322.40404      322.40404      28058.399      28058.399     -198.89786     -198.89786    
Loop time of 46.7813 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.847 ns/day, 12.995 hours/ns, 21.376 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    | 46.687     | 46.687     | 46.687     |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.017878   | 0.017878   | 0.017878   |   0.0 |  0.04
Output  | 8.1814e-05 | 8.1814e-05 | 8.1814e-05 |   0.0 |  0.00
Modify  | 0.06541    | 0.06541    | 0.06541    |   0.0 |  0.14
Other   |            | 0.01085    |            |       |  0.02

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:       221964 ave      221964 max      221964 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221964
Ave neighs/atom = 110.982
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.694672747002, Press = 0.630274855750103
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  -10432.528     -10432.528     -10515.835     -10515.835      322.40404      322.40404      28058.399      28058.399     -198.89786     -198.89786    
     76000  -10432.649     -10432.649     -10514.234     -10514.234      315.7406       315.7406       28068.301      28068.301     -721.51893     -721.51893    
Loop time of 46.8193 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.845 ns/day, 13.005 hours/ns, 21.359 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    | 46.723     | 46.723     | 46.723     |   0.0 | 99.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.018574   | 0.018574   | 0.018574   |   0.0 |  0.04
Output  | 8.0281e-05 | 8.0281e-05 | 8.0281e-05 |   0.0 |  0.00
Modify  | 0.066201   | 0.066201   | 0.066201   |   0.0 |  0.14
Other   |            | 0.01177    |            |       |  0.03

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:       221974 ave      221974 max      221974 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221974
Ave neighs/atom = 110.987
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.703029605677, Press = 0.608902072323304
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  -10432.649     -10432.649     -10514.234     -10514.234      315.7406       315.7406       28068.301      28068.301     -721.51893     -721.51893    
     77000  -10436.491     -10436.491     -10516.368     -10516.368      309.12947      309.12947      28072.327      28072.327     -1137.4555     -1137.4555    
Loop time of 46.7302 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.849 ns/day, 12.981 hours/ns, 21.399 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    | 46.637     | 46.637     | 46.637     |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.017663   | 0.017663   | 0.017663   |   0.0 |  0.04
Output  | 0.00010524 | 0.00010524 | 0.00010524 |   0.0 |  0.00
Modify  | 0.065084   | 0.065084   | 0.065084   |   0.0 |  0.14
Other   |            | 0.01032    |            |       |  0.02

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:       221676 ave      221676 max      221676 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221676
Ave neighs/atom = 110.838
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.742140366347, Press = 0.166281640814649
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  -10436.491     -10436.491     -10516.368     -10516.368      309.12947      309.12947      28072.327      28072.327     -1137.4555     -1137.4555    
     78000  -10432.89      -10432.89      -10511.554     -10511.554      304.43837      304.43837      28083.671      28083.671     -1373.2085     -1373.2085    
Loop time of 46.7819 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.847 ns/day, 12.995 hours/ns, 21.376 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    | 46.696     | 46.696     | 46.696     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015858   | 0.015858   | 0.015858   |   0.0 |  0.03
Output  | 4.6607e-05 | 4.6607e-05 | 4.6607e-05 |   0.0 |  0.00
Modify  | 0.062836   | 0.062836   | 0.062836   |   0.0 |  0.13
Other   |            | 0.007107   |            |       |  0.02

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:       221728 ave      221728 max      221728 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221728
Ave neighs/atom = 110.864
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 = 312.732778044765, Press = -0.308144644830341
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  -10432.89      -10432.89      -10511.554     -10511.554      304.43837      304.43837      28083.671      28083.671     -1373.2085     -1373.2085    
     79000  -10436.642     -10436.642     -10516.134     -10516.134      307.64192      307.64192      28050.248      28050.248      81.751392      81.751392    
Loop time of 46.6771 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.851 ns/day, 12.966 hours/ns, 21.424 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    | 46.588     | 46.588     | 46.588     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.016486   | 0.016486   | 0.016486   |   0.0 |  0.04
Output  | 8.0842e-05 | 8.0842e-05 | 8.0842e-05 |   0.0 |  0.00
Modify  | 0.063695   | 0.063695   | 0.063695   |   0.0 |  0.14
Other   |            | 0.008372   |            |       |  0.02

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:       221566 ave      221566 max      221566 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221566
Ave neighs/atom = 110.783
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.710962115414, Press = -0.619930613573429
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  -10436.642     -10436.642     -10516.134     -10516.134      307.64192      307.64192      28050.248      28050.248      81.751392      81.751392    
     80000  -10432.323     -10432.323     -10515.387     -10515.387      321.46646      321.46646      28026.183      28026.183      1479.0126      1479.0126    
Loop time of 46.8713 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.843 ns/day, 13.020 hours/ns, 21.335 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    | 46.772     | 46.772     | 46.772     |   0.0 | 99.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.019288   | 0.019288   | 0.019288   |   0.0 |  0.04
Output  | 0.00010884 | 0.00010884 | 0.00010884 |   0.0 |  0.00
Modify  | 0.067116   | 0.067116   | 0.067116   |   0.0 |  0.14
Other   |            | 0.01274    |            |       |  0.03

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:       221866 ave      221866 max      221866 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221866
Ave neighs/atom = 110.933
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.700022010054, Press = -0.383697560868946
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  -10432.323     -10432.323     -10515.387     -10515.387      321.46646      321.46646      28026.183      28026.183      1479.0126      1479.0126    
     81000  -10436.731     -10436.731     -10514.361     -10514.361      300.43535      300.43535      28006.496      28006.496      2648.2042      2648.2042    
Loop time of 46.9074 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.842 ns/day, 13.030 hours/ns, 21.319 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    | 46.809     | 46.809     | 46.809     |   0.0 | 99.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.019143   | 0.019143   | 0.019143   |   0.0 |  0.04
Output  | 7.9439e-05 | 7.9439e-05 | 7.9439e-05 |   0.0 |  0.00
Modify  | 0.06689    | 0.06689    | 0.06689    |   0.0 |  0.14
Other   |            | 0.01247    |            |       |  0.03

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:       221820 ave      221820 max      221820 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221820
Ave neighs/atom = 110.91
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 = 312.670834756386, Press = 0.420027055129718
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  -10436.731     -10436.731     -10514.361     -10514.361      300.43535      300.43535      28006.496      28006.496      2648.2042      2648.2042    
     82000  -10435.291     -10435.291     -10516.085     -10516.085      312.68307      312.68307      28033.29       28033.29       1009.1496      1009.1496    
Loop time of 46.8691 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.843 ns/day, 13.019 hours/ns, 21.336 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    | 46.776     | 46.776     | 46.776     |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.017607   | 0.017607   | 0.017607   |   0.0 |  0.04
Output  | 0.00010904 | 0.00010904 | 0.00010904 |   0.0 |  0.00
Modify  | 0.065105   | 0.065105   | 0.065105   |   0.0 |  0.14
Other   |            | 0.01035    |            |       |  0.02

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:       221926 ave      221926 max      221926 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221926
Ave neighs/atom = 110.963
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.67319657196, Press = 0.784341842746941
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  -10435.291     -10435.291     -10516.085     -10516.085      312.68307      312.68307      28033.29       28033.29       1009.1496      1009.1496    
     83000  -10433.731     -10433.731     -10514.515     -10514.515      312.6419       312.6419       28056.822      28056.822     -29.653082     -29.653082    
Loop time of 46.881 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.843 ns/day, 13.023 hours/ns, 21.331 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    | 46.782     | 46.782     | 46.782     |   0.0 | 99.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.019167   | 0.019167   | 0.019167   |   0.0 |  0.04
Output  | 6.7818e-05 | 6.7818e-05 | 6.7818e-05 |   0.0 |  0.00
Modify  | 0.067123   | 0.067123   | 0.067123   |   0.0 |  0.14
Other   |            | 0.01269    |            |       |  0.03

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:       221982 ave      221982 max      221982 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221982
Ave neighs/atom = 110.991
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.662173875871, Press = 0.573712038749516
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  -10433.731     -10433.731     -10514.515     -10514.515      312.6419       312.6419       28056.822      28056.822     -29.653082     -29.653082    
     84000  -10433.553     -10433.553     -10512.795     -10512.795      306.67664      306.67664      28061.983      28061.983     -223.30944     -223.30944    
Loop time of 46.7494 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.848 ns/day, 12.986 hours/ns, 21.391 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    | 46.657     | 46.657     | 46.657     |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.017506   | 0.017506   | 0.017506   |   0.0 |  0.04
Output  | 0.00011227 | 0.00011227 | 0.00011227 |   0.0 |  0.00
Modify  | 0.064736   | 0.064736   | 0.064736   |   0.0 |  0.14
Other   |            | 0.01002    |            |       |  0.02

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:       221890 ave      221890 max      221890 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221890
Ave neighs/atom = 110.945
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.671560106178, Press = 0.343410356165152
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  -10433.553     -10433.553     -10512.795     -10512.795      306.67664      306.67664      28061.983      28061.983     -223.30944     -223.30944    
     85000  -10434.755     -10434.755     -10514.38      -10514.38       308.15756      308.15756      28060.649      28060.649     -436.14399     -436.14399    
Loop time of 46.702 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.850 ns/day, 12.973 hours/ns, 21.412 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    | 46.605     | 46.605     | 46.605     |   0.0 | 99.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.018794   | 0.018794   | 0.018794   |   0.0 |  0.04
Output  | 8.5841e-05 | 8.5841e-05 | 8.5841e-05 |   0.0 |  0.00
Modify  | 0.066391   | 0.066391   | 0.066391   |   0.0 |  0.14
Other   |            | 0.01191    |            |       |  0.03

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:       221688 ave      221688 max      221688 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221688
Ave neighs/atom = 110.844
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.660176479337, Press = 0.21981876365166
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  -10434.755     -10434.755     -10514.38      -10514.38       308.15756      308.15756      28060.649      28060.649     -436.14399     -436.14399    
     86000  -10431.953     -10431.953     -10512.744     -10512.744      312.66977      312.66977      28067.465      28067.465     -343.75986     -343.75986    
Loop time of 46.7843 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.847 ns/day, 12.996 hours/ns, 21.375 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    | 46.687     | 46.687     | 46.687     |   0.0 | 99.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.018781   | 0.018781   | 0.018781   |   0.0 |  0.04
Output  | 7.9019e-05 | 7.9019e-05 | 7.9019e-05 |   0.0 |  0.00
Modify  | 0.066479   | 0.066479   | 0.066479   |   0.0 |  0.14
Other   |            | 0.01202    |            |       |  0.03

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:       221716 ave      221716 max      221716 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221716
Ave neighs/atom = 110.858
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 = 312.665766487671, Press = 0.133185178350377
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  -10431.953     -10431.953     -10512.744     -10512.744      312.66977      312.66977      28067.465      28067.465     -343.75986     -343.75986    
     87000  -10435.907     -10435.907     -10516.023     -10516.023      310.05976      310.05976      28053.324      28053.324     -40.93505      -40.93505     
Loop time of 46.7963 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.846 ns/day, 12.999 hours/ns, 21.369 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    | 46.697     | 46.697     | 46.697     |   0.0 | 99.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.019255   | 0.019255   | 0.019255   |   0.0 |  0.04
Output  | 9.7403e-05 | 9.7403e-05 | 9.7403e-05 |   0.0 |  0.00
Modify  | 0.067192   | 0.067192   | 0.067192   |   0.0 |  0.14
Other   |            | 0.0127     |            |       |  0.03

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:       221536 ave      221536 max      221536 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221536
Ave neighs/atom = 110.768
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.639155031463, Press = -0.15552280400851
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  -10435.907     -10435.907     -10516.023     -10516.023      310.05976      310.05976      28053.324      28053.324     -40.93505      -40.93505     
     88000  -10435.022     -10435.022     -10514.783     -10514.783      308.68191      308.68191      28026.031      28026.031      1508.277       1508.277     
Loop time of 46.8594 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.844 ns/day, 13.016 hours/ns, 21.340 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    | 46.761     | 46.761     | 46.761     |   0.0 | 99.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.018901   | 0.018901   | 0.018901   |   0.0 |  0.04
Output  | 8.2505e-05 | 8.2505e-05 | 8.2505e-05 |   0.0 |  0.00
Modify  | 0.06672    | 0.06672    | 0.06672    |   0.0 |  0.14
Other   |            | 0.01222    |            |       |  0.03

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:       221954 ave      221954 max      221954 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221954
Ave neighs/atom = 110.977
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.653861531264, Press = -0.103368729635567
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  -10435.022     -10435.022     -10514.783     -10514.783      308.68191      308.68191      28026.031      28026.031      1508.277       1508.277     
     89000  -10431.863     -10431.863     -10512.483     -10512.483      312.00791      312.00791      28014.61       28014.61       2509.5178      2509.5178    
Loop time of 46.7955 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.846 ns/day, 12.999 hours/ns, 21.370 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    | 46.698     | 46.698     | 46.698     |   0.0 | 99.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.018739   | 0.018739   | 0.018739   |   0.0 |  0.04
Output  | 6.5814e-05 | 6.5814e-05 | 6.5814e-05 |   0.0 |  0.00
Modify  | 0.066372   | 0.066372   | 0.066372   |   0.0 |  0.14
Other   |            | 0.01196    |            |       |  0.03

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:       221946 ave      221946 max      221946 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221946
Ave neighs/atom = 110.973
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.68196311486, Press = 0.550553258207962
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  -10431.863     -10431.863     -10512.483     -10512.483      312.00791      312.00791      28014.61       28014.61       2509.5178      2509.5178    
     90000  -10436.862     -10436.862     -10516.345     -10516.345      307.60636      307.60636      28019.711      28019.711      1687.7822      1687.7822    
Loop time of 46.8124 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.846 ns/day, 13.003 hours/ns, 21.362 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    | 46.72      | 46.72      | 46.72      |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.017372   | 0.017372   | 0.017372   |   0.0 |  0.04
Output  | 0.00028861 | 0.00028861 | 0.00028861 |   0.0 |  0.00
Modify  | 0.064837   | 0.064837   | 0.064837   |   0.0 |  0.14
Other   |            | 0.009969   |            |       |  0.02

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:       221978 ave      221978 max      221978 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221978
Ave neighs/atom = 110.989
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.684607537953, Press = 0.945468569886815
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  -10436.862     -10436.862     -10516.345     -10516.345      307.60636      307.60636      28019.711      28019.711      1687.7822      1687.7822    
     91000  -10432.293     -10432.293     -10513.115     -10513.115      312.78668      312.78668      28057.547      28057.547      72.60619       72.60619     
Loop time of 46.8563 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.844 ns/day, 13.016 hours/ns, 21.342 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    | 46.759     | 46.759     | 46.759     |   0.0 | 99.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.018833   | 0.018833   | 0.018833   |   0.0 |  0.04
Output  | 7.9529e-05 | 7.9529e-05 | 7.9529e-05 |   0.0 |  0.00
Modify  | 0.066598   | 0.066598   | 0.066598   |   0.0 |  0.14
Other   |            | 0.01217    |            |       |  0.03

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:       222038 ave      222038 max      222038 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 222038
Ave neighs/atom = 111.019
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.671398996339, Press = 1.07017942062469
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  -10432.293     -10432.293     -10513.115     -10513.115      312.78668      312.78668      28057.547      28057.547      72.60619       72.60619     
     92000  -10431.557     -10431.557     -10513.916     -10513.916      318.74007      318.74007      28080.217      28080.217     -1136.157      -1136.157     
Loop time of 46.7379 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.849 ns/day, 12.983 hours/ns, 21.396 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    | 46.638     | 46.638     | 46.638     |   0.0 | 99.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.019399   | 0.019399   | 0.019399   |   0.0 |  0.04
Output  | 9.543e-05  | 9.543e-05  | 9.543e-05  |   0.0 |  0.00
Modify  | 0.067452   | 0.067452   | 0.067452   |   0.0 |  0.14
Other   |            | 0.01296    |            |       |  0.03

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:       221690 ave      221690 max      221690 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221690
Ave neighs/atom = 110.845
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.663491896972, Press = 0.684494551228297
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  -10431.557     -10431.557     -10513.916     -10513.916      318.74007      318.74007      28080.217      28080.217     -1136.157      -1136.157     
     93000  -10434.005     -10434.005     -10516.346     -10516.346      318.66946      318.66946      28081.163      28081.163     -1450.0606     -1450.0606    
Loop time of 46.791 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.847 ns/day, 12.997 hours/ns, 21.372 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    | 46.693     | 46.693     | 46.693     |   0.0 | 99.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.018874   | 0.018874   | 0.018874   |   0.0 |  0.04
Output  | 8.1242e-05 | 8.1242e-05 | 8.1242e-05 |   0.0 |  0.00
Modify  | 0.066471   | 0.066471   | 0.066471   |   0.0 |  0.14
Other   |            | 0.0122     |            |       |  0.03

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:       221726 ave      221726 max      221726 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221726
Ave neighs/atom = 110.863
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 = 312.693860411291, Press = 0.212233034789916
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  -10434.005     -10434.005     -10516.346     -10516.346      318.66946      318.66946      28081.163      28081.163     -1450.0606     -1450.0606    
     94000  -10431.981     -10431.981     -10511.768     -10511.768      308.78275      308.78275      28072.981      28072.981     -611.00417     -611.00417    
Loop time of 46.8476 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.844 ns/day, 13.013 hours/ns, 21.346 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    | 46.748     | 46.748     | 46.748     |   0.0 | 99.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.019335   | 0.019335   | 0.019335   |   0.0 |  0.04
Output  | 0.00011487 | 0.00011487 | 0.00011487 |   0.0 |  0.00
Modify  | 0.067251   | 0.067251   | 0.067251   |   0.0 |  0.14
Other   |            | 0.01286    |            |       |  0.03

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:       222026 ave      222026 max      222026 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 222026
Ave neighs/atom = 111.013
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.715062518945, Press = -0.00386173996512734
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  -10431.981     -10431.981     -10511.768     -10511.768      308.78275      308.78275      28072.981      28072.981     -611.00417     -611.00417    
     95000  -10433.79      -10433.79      -10514.789     -10514.789      313.47539      313.47539      28061.229      28061.229     -207.784       -207.784      
Loop time of 46.7006 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.850 ns/day, 12.972 hours/ns, 21.413 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    | 46.604     | 46.604     | 46.604     |   0.0 | 99.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01856    | 0.01856    | 0.01856    |   0.0 |  0.04
Output  | 0.00010991 | 0.00010991 | 0.00010991 |   0.0 |  0.00
Modify  | 0.066099   | 0.066099   | 0.066099   |   0.0 |  0.14
Other   |            | 0.01173    |            |       |  0.03

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:       221702 ave      221702 max      221702 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221702
Ave neighs/atom = 110.851
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 = 312.754432408424, Press = -0.127434649612186
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  -10433.79      -10433.79      -10514.789     -10514.789      313.47539      313.47539      28061.229      28061.229     -207.784       -207.784      
     96000  -10431.527     -10431.527     -10514.709     -10514.709      321.92276      321.92276      28043.321      28043.321      831.14741      831.14741    
Loop time of 46.7485 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.848 ns/day, 12.986 hours/ns, 21.391 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    | 46.652     | 46.652     | 46.652     |   0.0 | 99.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.018476   | 0.018476   | 0.018476   |   0.0 |  0.04
Output  | 9.3296e-05 | 9.3296e-05 | 9.3296e-05 |   0.0 |  0.00
Modify  | 0.066125   | 0.066125   | 0.066125   |   0.0 |  0.14
Other   |            | 0.01164    |            |       |  0.02

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:       221932 ave      221932 max      221932 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221932
Ave neighs/atom = 110.966
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.762480350657, Press = -0.520989003010852
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  -10431.527     -10431.527     -10514.709     -10514.709      321.92276      321.92276      28043.321      28043.321      831.14741      831.14741    
     97000  -10435.634     -10435.634     -10516.622     -10516.622      313.43078      313.43078      28006.074      28006.074      2701.1646      2701.1646    
Loop time of 46.7802 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.847 ns/day, 12.995 hours/ns, 21.377 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    | 46.682     | 46.682     | 46.682     |   0.0 | 99.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.019056   | 0.019056   | 0.019056   |   0.0 |  0.04
Output  | 0.00010994 | 0.00010994 | 0.00010994 |   0.0 |  0.00
Modify  | 0.066935   | 0.066935   | 0.066935   |   0.0 |  0.14
Other   |            | 0.01249    |            |       |  0.03

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:       221868 ave      221868 max      221868 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221868
Ave neighs/atom = 110.934
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.746637883305, Press = -0.154405641579993
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  -10435.634     -10435.634     -10516.622     -10516.622      313.43078      313.43078      28006.074      28006.074      2701.1646      2701.1646    
     98000  -10433.682     -10433.682     -10517.194     -10517.194      323.20097      323.20097      28018.112      28018.112      1936.0034      1936.0034    
Loop time of 46.8421 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.844 ns/day, 13.012 hours/ns, 21.348 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    | 46.743     | 46.743     | 46.743     |   0.0 | 99.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0192     | 0.0192     | 0.0192     |   0.0 |  0.04
Output  | 0.00011364 | 0.00011364 | 0.00011364 |   0.0 |  0.00
Modify  | 0.067041   | 0.067041   | 0.067041   |   0.0 |  0.14
Other   |            | 0.01268    |            |       |  0.03

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:       222254 ave      222254 max      222254 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 222254
Ave neighs/atom = 111.127
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.741056374217, Press = 0.419857703526608
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  -10433.682     -10433.682     -10517.194     -10517.194      323.20097      323.20097      28018.112      28018.112      1936.0034      1936.0034    
     99000  -10432.575     -10432.575     -10513.5       -10513.5        313.18873      313.18873      28040.976      28040.976      1016.2456      1016.2456    
Loop time of 46.8223 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.845 ns/day, 13.006 hours/ns, 21.357 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    | 46.724     | 46.724     | 46.724     |   0.0 | 99.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.019143   | 0.019143   | 0.019143   |   0.0 |  0.04
Output  | 0.0001146  | 0.0001146  | 0.0001146  |   0.0 |  0.00
Modify  | 0.066985   | 0.066985   | 0.066985   |   0.0 |  0.14
Other   |            | 0.01252    |            |       |  0.03

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:       222110 ave      222110 max      222110 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 222110
Ave neighs/atom = 111.055
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.719089955671, Press = 0.502699251912949
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  -10432.575     -10432.575     -10513.5       -10513.5        313.18873      313.18873      28040.976      28040.976      1016.2456      1016.2456    
    100000  -10435.899     -10435.899     -10514.6       -10514.6        304.5816       304.5816       28055.75       28055.75      -116.34921     -116.34921    
Loop time of 46.8345 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.845 ns/day, 13.010 hours/ns, 21.352 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    | 46.737     | 46.737     | 46.737     |   0.0 | 99.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.018654   | 0.018654   | 0.018654   |   0.0 |  0.04
Output  | 7.8698e-05 | 7.8698e-05 | 7.8698e-05 |   0.0 |  0.00
Modify  | 0.066364   | 0.066364   | 0.066364   |   0.0 |  0.14
Other   |            | 0.01194    |            |       |  0.03

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:       221860 ave      221860 max      221860 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221860
Ave neighs/atom = 110.93
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.709341868299, Press = 0.383300430645908
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  -10435.899     -10435.899     -10514.6       -10514.6        304.5816       304.5816       28055.75       28055.75      -116.34921     -116.34921    
    101000  -10434.473     -10434.473     -10515.555     -10515.555      313.79654      313.79654      28067.539      28067.539     -620.90592     -620.90592    
Loop time of 46.7345 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.849 ns/day, 12.982 hours/ns, 21.397 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    | 46.639     | 46.639     | 46.639     |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.018222   | 0.018222   | 0.018222   |   0.0 |  0.04
Output  | 9.6721e-05 | 9.6721e-05 | 9.6721e-05 |   0.0 |  0.00
Modify  | 0.065703   | 0.065703   | 0.065703   |   0.0 |  0.14
Other   |            | 0.0113     |            |       |  0.02

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:       221792 ave      221792 max      221792 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221792
Ave neighs/atom = 110.896
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 = 312.688457980541, Press = 0.113943764449022
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  -10434.473     -10434.473     -10515.555     -10515.555      313.79654      313.79654      28067.539      28067.539     -620.90592     -620.90592    
    102000  -10428.346     -10428.346     -10510.391     -10510.391      317.52451      317.52451      28069.753      28069.753     -8.092892      -8.092892     
Loop time of 46.8758 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.843 ns/day, 13.021 hours/ns, 21.333 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    | 46.777     | 46.777     | 46.777     |   0.0 | 99.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.019062   | 0.019062   | 0.019062   |   0.0 |  0.04
Output  | 0.00012215 | 0.00012215 | 0.00012215 |   0.0 |  0.00
Modify  | 0.066756   | 0.066756   | 0.066756   |   0.0 |  0.14
Other   |            | 0.01246    |            |       |  0.03

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:       221872 ave      221872 max      221872 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221872
Ave neighs/atom = 110.936
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.705815512731, Press = 0.0881339170566842
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  -10428.346     -10428.346     -10510.391     -10510.391      317.52451      317.52451      28069.753      28069.753     -8.092892      -8.092892     
    103000  -10433.532     -10433.532     -10515.761     -10515.761      318.23367      318.23367      28057.836      28057.836     -61.754553     -61.754553    
Loop time of 46.8313 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.845 ns/day, 13.009 hours/ns, 21.353 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    | 46.735     | 46.735     | 46.735     |   0.0 | 99.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.018378   | 0.018378   | 0.018378   |   0.0 |  0.04
Output  | 7.968e-05  | 7.968e-05  | 7.968e-05  |   0.0 |  0.00
Modify  | 0.06608    | 0.06608    | 0.06608    |   0.0 |  0.14
Other   |            | 0.0115     |            |       |  0.02

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:       221664 ave      221664 max      221664 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221664
Ave neighs/atom = 110.832
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.744331323182, Press = 0.0740659145628111
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  -10433.532     -10433.532     -10515.761     -10515.761      318.23367      318.23367      28057.836      28057.836     -61.754553     -61.754553    
    104000  -10430.167     -10430.167     -10512.558     -10512.558      318.86238      318.86238      28066.96       28066.96      -289.02191     -289.02191    
Loop time of 46.8956 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.842 ns/day, 13.027 hours/ns, 21.324 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    | 46.803     | 46.803     | 46.803     |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.017462   | 0.017462   | 0.017462   |   0.0 |  0.04
Output  | 0.0001061  | 0.0001061  | 0.0001061  |   0.0 |  0.00
Modify  | 0.064889   | 0.064889   | 0.064889   |   0.0 |  0.14
Other   |            | 0.01013    |            |       |  0.02

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:       221912 ave      221912 max      221912 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221912
Ave neighs/atom = 110.956
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.743741664958, Press = 0.0446532174980994
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  -10430.167     -10430.167     -10512.558     -10512.558      318.86238      318.86238      28066.96       28066.96      -289.02191     -289.02191    
    105000  -10435.419     -10435.419     -10513.1       -10513.1        300.63402      300.63402      28060.858      28060.858     -92.835191     -92.835191    
Loop time of 47.0236 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.837 ns/day, 13.062 hours/ns, 21.266 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    | 46.925     | 46.925     | 46.925     |   0.0 | 99.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.019196   | 0.019196   | 0.019196   |   0.0 |  0.04
Output  | 0.00010515 | 0.00010515 | 0.00010515 |   0.0 |  0.00
Modify  | 0.067092   | 0.067092   | 0.067092   |   0.0 |  0.14
Other   |            | 0.01263    |            |       |  0.03

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:       221790 ave      221790 max      221790 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221790
Ave neighs/atom = 110.895
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 = 312.771084932537, Press = -0.188943093928558
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  -10435.419     -10435.419     -10513.1       -10513.1        300.63402      300.63402      28060.858      28060.858     -92.835191     -92.835191    
    106000  -10432.042     -10432.042     -10512.035     -10512.035      309.5824       309.5824       28047.624      28047.624      652.13527      652.13527    
Loop time of 46.8835 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.843 ns/day, 13.023 hours/ns, 21.329 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    | 46.785     | 46.785     | 46.785     |   0.0 | 99.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.019157   | 0.019157   | 0.019157   |   0.0 |  0.04
Output  | 9.8034e-05 | 9.8034e-05 | 9.8034e-05 |   0.0 |  0.00
Modify  | 0.066951   | 0.066951   | 0.066951   |   0.0 |  0.14
Other   |            | 0.01258    |            |       |  0.03

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:       221766 ave      221766 max      221766 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221766
Ave neighs/atom = 110.883
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 = 312.790612429921, Press = -0.432009806873319
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  -10432.042     -10432.042     -10512.035     -10512.035      309.5824       309.5824       28047.624      28047.624      652.13527      652.13527    
    107000  -10436.443     -10436.443     -10517.271     -10517.271      312.81163      312.81163      28010.537      28010.537      2190.3044      2190.3044    
Loop time of 46.7951 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.846 ns/day, 12.999 hours/ns, 21.370 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    | 46.703     | 46.703     | 46.703     |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.017384   | 0.017384   | 0.017384   |   0.0 |  0.04
Output  | 8.0231e-05 | 8.0231e-05 | 8.0231e-05 |   0.0 |  0.00
Modify  | 0.064825   | 0.064825   | 0.064825   |   0.0 |  0.14
Other   |            | 0.00967    |            |       |  0.02

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:       221664 ave      221664 max      221664 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221664
Ave neighs/atom = 110.832
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.792826997175, Press = -0.312710080634939
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  -10436.443     -10436.443     -10517.271     -10517.271      312.81163      312.81163      28010.537      28010.537      2190.3044      2190.3044    
    108000  -10432.462     -10432.462     -10514.846     -10514.846      318.83552      318.83552      28014.185      28014.185      2431.8168      2431.8168    
Loop time of 46.8595 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.844 ns/day, 13.017 hours/ns, 21.340 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    | 46.757     | 46.757     | 46.757     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.020119   | 0.020119   | 0.020119   |   0.0 |  0.04
Output  | 0.00011182 | 0.00011182 | 0.00011182 |   0.0 |  0.00
Modify  | 0.068223   | 0.068223   | 0.068223   |   0.0 |  0.15
Other   |            | 0.01393    |            |       |  0.03

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:       221994 ave      221994 max      221994 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221994
Ave neighs/atom = 110.997
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.779280709586, Press = 0.173339676496251
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  -10432.462     -10432.462     -10514.846     -10514.846      318.83552      318.83552      28014.185      28014.185      2431.8168      2431.8168    
    109000  -10433.781     -10433.781     -10514.449     -10514.449      312.19468      312.19468      28038.561      28038.561      1049.2091      1049.2091    
Loop time of 46.9358 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.841 ns/day, 13.038 hours/ns, 21.306 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    | 46.832     | 46.832     | 46.832     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.020379   | 0.020379   | 0.020379   |   0.0 |  0.04
Output  | 0.00010606 | 0.00010606 | 0.00010606 |   0.0 |  0.00
Modify  | 0.068664   | 0.068664   | 0.068664   |   0.0 |  0.15
Other   |            | 0.01434    |            |       |  0.03

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:       222044 ave      222044 max      222044 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 222044
Ave neighs/atom = 111.022
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.802163188653, Press = 0.335535530560932
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  -10433.781     -10433.781     -10514.449     -10514.449      312.19468      312.19468      28038.561      28038.561      1049.2091      1049.2091    
    110000  -10431.471     -10431.471     -10513.167     -10513.167      316.17141      316.17141      28056.764      28056.764      248.92495      248.92495    
Loop time of 46.8988 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.842 ns/day, 13.027 hours/ns, 21.323 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    | 46.795     | 46.795     | 46.795     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.020463   | 0.020463   | 0.020463   |   0.0 |  0.04
Output  | 9.7994e-05 | 9.7994e-05 | 9.7994e-05 |   0.0 |  0.00
Modify  | 0.068565   | 0.068565   | 0.068565   |   0.0 |  0.15
Other   |            | 0.01426    |            |       |  0.03

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:       221824 ave      221824 max      221824 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221824
Ave neighs/atom = 110.912
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 = 312.81511033513, Press = 0.235760857791118
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  -10431.471     -10431.471     -10513.167     -10513.167      316.17141      316.17141      28056.764      28056.764      248.92495      248.92495    
    111000  -10431.952     -10431.952     -10510.728     -10510.728      304.87224      304.87224      28075.439      28075.439     -602.47139     -602.47139    
Loop time of 46.879 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.843 ns/day, 13.022 hours/ns, 21.332 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    | 46.776     | 46.776     | 46.776     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.020301   | 0.020301   | 0.020301   |   0.0 |  0.04
Output  | 0.00010975 | 0.00010975 | 0.00010975 |   0.0 |  0.00
Modify  | 0.068586   | 0.068586   | 0.068586   |   0.0 |  0.15
Other   |            | 0.01432    |            |       |  0.03

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:       221850 ave      221850 max      221850 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221850
Ave neighs/atom = 110.925
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.848016131043, Press = 0.218727862424351
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  -10431.952     -10431.952     -10510.728     -10510.728      304.87224      304.87224      28075.439      28075.439     -602.47139     -602.47139    
    112000  -10434.575     -10434.575     -10517.849     -10517.849      322.27785      322.27785      28089.036      28089.036     -2052.926      -2052.926     
Loop time of 46.9037 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.842 ns/day, 13.029 hours/ns, 21.320 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    | 46.8       | 46.8       | 46.8       |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.020332   | 0.020332   | 0.020332   |   0.0 |  0.04
Output  | 0.00011161 | 0.00011161 | 0.00011161 |   0.0 |  0.00
Modify  | 0.068701   | 0.068701   | 0.068701   |   0.0 |  0.15
Other   |            | 0.0143     |            |       |  0.03

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:       221588 ave      221588 max      221588 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221588
Ave neighs/atom = 110.794
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.872563399695, Press = -0.0353513787447134
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  -10434.575     -10434.575     -10517.849     -10517.849      322.27785      322.27785      28089.036      28089.036     -2052.926      -2052.926     
    113000  -10432.995     -10432.995     -10513.651     -10513.651      312.14793      312.14793      28082.584      28082.584     -1294.3679     -1294.3679    
Loop time of 46.8432 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.844 ns/day, 13.012 hours/ns, 21.348 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    | 46.743     | 46.743     | 46.743     |   0.0 | 99.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.019537   | 0.019537   | 0.019537   |   0.0 |  0.04
Output  | 0.00010768 | 0.00010768 | 0.00010768 |   0.0 |  0.00
Modify  | 0.067528   | 0.067528   | 0.067528   |   0.0 |  0.14
Other   |            | 0.01315    |            |       |  0.03

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:       221868 ave      221868 max      221868 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221868
Ave neighs/atom = 110.934
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.889040397009, Press = -0.471439524368591
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  -10432.995     -10432.995     -10513.651     -10513.651      312.14793      312.14793      28082.584      28082.584     -1294.3679     -1294.3679    
    114000  -10435.781     -10435.781     -10516.585     -10516.585      312.71939      312.71939      28040.706      28040.706      617.01859      617.01859    
Loop time of 46.8783 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.843 ns/day, 13.022 hours/ns, 21.332 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    | 46.777     | 46.777     | 46.777     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.019771   | 0.019771   | 0.019771   |   0.0 |  0.04
Output  | 9.5589e-05 | 9.5589e-05 | 9.5589e-05 |   0.0 |  0.00
Modify  | 0.067665   | 0.067665   | 0.067665   |   0.0 |  0.14
Other   |            | 0.01333    |            |       |  0.03

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:       221810 ave      221810 max      221810 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221810
Ave neighs/atom = 110.905
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 = 312.891795062837, Press = -0.749624674531156
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  -10435.781     -10435.781     -10516.585     -10516.585      312.71939      312.71939      28040.706      28040.706      617.01859      617.01859    
    115000  -10432.233     -10432.233     -10514.159     -10514.159      317.06127      317.06127      28000.559      28000.559      3054.966       3054.966     
Loop time of 47.0037 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.838 ns/day, 13.057 hours/ns, 21.275 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    | 46.9       | 46.9       | 46.9       |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.020476   | 0.020476   | 0.020476   |   0.0 |  0.04
Output  | 9.6672e-05 | 9.6672e-05 | 9.6672e-05 |   0.0 |  0.00
Modify  | 0.068569   | 0.068569   | 0.068569   |   0.0 |  0.15
Other   |            | 0.01432    |            |       |  0.03

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:       221990 ave      221990 max      221990 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221990
Ave neighs/atom = 110.995
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.892836052695, Press = -0.380483335211071
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  -10432.233     -10432.233     -10514.159     -10514.159      317.06127      317.06127      28000.559      28000.559      3054.966       3054.966     
    116000  -10437.122     -10437.122     -10516.587     -10516.587      307.53884      307.53884      28023.251      28023.251      1619.0703      1619.0703    
Loop time of 46.9741 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.839 ns/day, 13.048 hours/ns, 21.288 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    | 46.871     | 46.871     | 46.871     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.020384   | 0.020384   | 0.020384   |   0.0 |  0.04
Output  | 0.00011638 | 0.00011638 | 0.00011638 |   0.0 |  0.00
Modify  | 0.068666   | 0.068666   | 0.068666   |   0.0 |  0.15
Other   |            | 0.0143     |            |       |  0.03

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:       221872 ave      221872 max      221872 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221872
Ave neighs/atom = 110.936
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.868386273724, Press = 0.176224307126984
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  -10437.122     -10437.122     -10516.587     -10516.587      307.53884      307.53884      28023.251      28023.251      1619.0703      1619.0703    
    117000  -10433.301     -10433.301     -10514.258     -10514.258      313.31277      313.31277      28040.686      28040.686      1076.7551      1076.7551    
Loop time of 46.9701 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.839 ns/day, 13.047 hours/ns, 21.290 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    | 46.867     | 46.867     | 46.867     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.020399   | 0.020399   | 0.020399   |   0.0 |  0.04
Output  | 0.00011095 | 0.00011095 | 0.00011095 |   0.0 |  0.00
Modify  | 0.068569   | 0.068569   | 0.068569   |   0.0 |  0.15
Other   |            | 0.01424    |            |       |  0.03

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:       222150 ave      222150 max      222150 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 222150
Ave neighs/atom = 111.075
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.862996567696, Press = 0.322113273529961
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  -10433.301     -10433.301     -10514.258     -10514.258      313.31277      313.31277      28040.686      28040.686      1076.7551      1076.7551    
    118000  -10437.483     -10437.483     -10517.055     -10517.055      307.95272      307.95272      28052.322      28052.322      58.071633      58.071633    
Loop time of 46.8664 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.844 ns/day, 13.018 hours/ns, 21.337 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    | 46.763     | 46.763     | 46.763     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.020379   | 0.020379   | 0.020379   |   0.0 |  0.04
Output  | 0.00010085 | 0.00010085 | 0.00010085 |   0.0 |  0.00
Modify  | 0.068562   | 0.068562   | 0.068562   |   0.0 |  0.15
Other   |            | 0.01436    |            |       |  0.03

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:       221882 ave      221882 max      221882 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221882
Ave neighs/atom = 110.941
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.843672490775, Press = 0.291610930789664
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  -10437.483     -10437.483     -10517.055     -10517.055      307.95272      307.95272      28052.322      28052.322      58.071633      58.071633    
    119000  -10431.72      -10431.72      -10512.825     -10512.825      313.88464      313.88464      28083.224      28083.224     -1157.5003     -1157.5003    
Loop time of 46.8546 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.844 ns/day, 13.015 hours/ns, 21.343 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    | 46.751     | 46.751     | 46.751     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.020351   | 0.020351   | 0.020351   |   0.0 |  0.04
Output  | 9.578e-05  | 9.578e-05  | 9.578e-05  |   0.0 |  0.00
Modify  | 0.068699   | 0.068699   | 0.068699   |   0.0 |  0.15
Other   |            | 0.01425    |            |       |  0.03

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:       222066 ave      222066 max      222066 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 222066
Ave neighs/atom = 111.033
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.838693618682, Press = 0.330128670170421
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  -10431.72      -10431.72      -10512.825     -10512.825      313.88464      313.88464      28083.224      28083.224     -1157.5003     -1157.5003    
    120000  -10437.116     -10437.116     -10517.144     -10517.144      309.71685      309.71685      28117.391      28117.391     -3532.7586     -3532.7586    
Loop time of 46.8366 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.845 ns/day, 13.010 hours/ns, 21.351 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    | 46.734     | 46.734     | 46.734     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.020148   | 0.020148   | 0.020148   |   0.0 |  0.04
Output  | 8.4889e-05 | 8.4889e-05 | 8.4889e-05 |   0.0 |  0.00
Modify  | 0.068314   | 0.068314   | 0.068314   |   0.0 |  0.15
Other   |            | 0.01402    |            |       |  0.03

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:       221630 ave      221630 max      221630 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221630
Ave neighs/atom = 110.815
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.837244395889, Press = 0.0232028157066828
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  -10437.116     -10437.116     -10517.144     -10517.144      309.71685      309.71685      28117.391      28117.391     -3532.7586     -3532.7586    
    121000  -10433.241     -10433.241     -10515.426     -10515.426      318.06372      318.06372      28103.638      28103.638     -2504.4083     -2504.4083    
Loop time of 46.7776 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.847 ns/day, 12.994 hours/ns, 21.378 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    | 46.684     | 46.684     | 46.684     |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01773    | 0.01773    | 0.01773    |   0.0 |  0.04
Output  | 5.8009e-05 | 5.8009e-05 | 5.8009e-05 |   0.0 |  0.00
Modify  | 0.065364   | 0.065364   | 0.065364   |   0.0 |  0.14
Other   |            | 0.01032    |            |       |  0.02

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:       221802 ave      221802 max      221802 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221802
Ave neighs/atom = 110.901
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 = 312.838928963783, Press = -0.401393171753038
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  -10433.241     -10433.241     -10515.426     -10515.426      318.06372      318.06372      28103.638      28103.638     -2504.4083     -2504.4083    
    122000  -10436.664     -10436.664     -10515.646     -10515.646      305.67048      305.67048      28058.438      28058.438     -273.80049     -273.80049    
Loop time of 46.6403 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.852 ns/day, 12.956 hours/ns, 21.441 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    | 46.556     | 46.556     | 46.556     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015373   | 0.015373   | 0.015373   |   0.0 |  0.03
Output  | 8.1964e-05 | 8.1964e-05 | 8.1964e-05 |   0.0 |  0.00
Modify  | 0.06239    | 0.06239    | 0.06239    |   0.0 |  0.13
Other   |            | 0.006383   |            |       |  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:       221720 ave      221720 max      221720 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221720
Ave neighs/atom = 110.86
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 = 312.835669208353, Press = -0.32878832648642
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  -10436.664     -10436.664     -10515.646     -10515.646      305.67048      305.67048      28058.438      28058.438     -273.80049     -273.80049    
    123000  -10431.457     -10431.457     -10513.949     -10513.949      319.25096      319.25096      28035.767      28035.767      1193.8671      1193.8671    
Loop time of 46.8732 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.843 ns/day, 13.020 hours/ns, 21.334 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    | 46.772     | 46.772     | 46.772     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.019829   | 0.019829   | 0.019829   |   0.0 |  0.04
Output  | 9.3035e-05 | 9.3035e-05 | 9.3035e-05 |   0.0 |  0.00
Modify  | 0.067935   | 0.067935   | 0.067935   |   0.0 |  0.14
Other   |            | 0.01363    |            |       |  0.03

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:       221924 ave      221924 max      221924 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221924
Ave neighs/atom = 110.962
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.844616350517, Press = -0.0928491184887609
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  -10431.457     -10431.457     -10513.949     -10513.949      319.25096      319.25096      28035.767      28035.767      1193.8671      1193.8671    
    124000  -10435.404     -10435.404     -10515.225     -10515.225      308.91452      308.91452      28022.626      28022.626      1747.6051      1747.6051    
Loop time of 46.9709 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.839 ns/day, 13.047 hours/ns, 21.290 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    | 46.868     | 46.868     | 46.868     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.020378   | 0.020378   | 0.020378   |   0.0 |  0.04
Output  | 3.1519e-05 | 3.1519e-05 | 3.1519e-05 |   0.0 |  0.00
Modify  | 0.068449   | 0.068449   | 0.068449   |   0.0 |  0.15
Other   |            | 0.01435    |            |       |  0.03

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:       221856 ave      221856 max      221856 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221856
Ave neighs/atom = 110.928
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.862092248312, Press = 0.143603337286107
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  -10435.404     -10435.404     -10515.225     -10515.225      308.91452      308.91452      28022.626      28022.626      1747.6051      1747.6051    
    125000  -10431.622     -10431.622     -10512.416     -10512.416      312.68282      312.68282      28026.789      28026.789      1811.0241      1811.0241    
Loop time of 46.9359 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.841 ns/day, 13.038 hours/ns, 21.306 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    | 46.833     | 46.833     | 46.833     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.020468   | 0.020468   | 0.020468   |   0.0 |  0.04
Output  | 4.0125e-05 | 4.0125e-05 | 4.0125e-05 |   0.0 |  0.00
Modify  | 0.068394   | 0.068394   | 0.068394   |   0.0 |  0.15
Other   |            | 0.01429    |            |       |  0.03

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:       221948 ave      221948 max      221948 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221948
Ave neighs/atom = 110.974
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.884191893326, Press = 0.398822553305047
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   
    125000  -10431.622     -10431.622     -10512.416     -10512.416      312.68282      312.68282      28026.789      28026.789      1811.0241      1811.0241    
    126000  -10431.401     -10431.401     -10513.778     -10513.778      318.80435      318.80435      28054.214      28054.214      142.92033      142.92033    
Loop time of 46.8652 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.844 ns/day, 13.018 hours/ns, 21.338 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    | 46.762     | 46.762     | 46.762     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.020485   | 0.020485   | 0.020485   |   0.0 |  0.04
Output  | 3.8372e-05 | 3.8372e-05 | 3.8372e-05 |   0.0 |  0.00
Modify  | 0.068515   | 0.068515   | 0.068515   |   0.0 |  0.15
Other   |            | 0.0144     |            |       |  0.03

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:       221840 ave      221840 max      221840 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221840
Ave neighs/atom = 110.92
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.88414550697, Press = 0.595220234478669
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   
    126000  -10431.401     -10431.401     -10513.778     -10513.778      318.80435      318.80435      28054.214      28054.214      142.92033      142.92033    
    127000  -10431.259     -10431.259     -10513.959     -10513.959      320.05649      320.05649      28096.461      28096.461     -1972.8973     -1972.8973    
Loop time of 46.7209 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.849 ns/day, 12.978 hours/ns, 21.404 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    | 46.623     | 46.623     | 46.623     |   0.0 | 99.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.019003   | 0.019003   | 0.019003   |   0.0 |  0.04
Output  | 3.1499e-05 | 3.1499e-05 | 3.1499e-05 |   0.0 |  0.00
Modify  | 0.066714   | 0.066714   | 0.066714   |   0.0 |  0.14
Other   |            | 0.01233    |            |       |  0.03

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:       221830 ave      221830 max      221830 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221830
Ave neighs/atom = 110.915
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 = 312.893372331774, Press = 0.57704973732307
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   
    127000  -10431.259     -10431.259     -10513.959     -10513.959      320.05649      320.05649      28096.461      28096.461     -1972.8973     -1972.8973    
    128000  -10433.79      -10433.79      -10516.373     -10516.373      319.60242      319.60242      28107.889      28107.889     -2934.455      -2934.455     
Loop time of 46.776 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.847 ns/day, 12.993 hours/ns, 21.378 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    | 46.681     | 46.681     | 46.681     |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.018165   | 0.018165   | 0.018165   |   0.0 |  0.04
Output  | 2.8824e-05 | 2.8824e-05 | 2.8824e-05 |   0.0 |  0.00
Modify  | 0.065467   | 0.065467   | 0.065467   |   0.0 |  0.14
Other   |            | 0.01099    |            |       |  0.02

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:       221688 ave      221688 max      221688 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221688
Ave neighs/atom = 110.844
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.888191694135, Press = 0.119402299505143
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   
    128000  -10433.79      -10433.79      -10516.373     -10516.373      319.60242      319.60242      28107.889      28107.889     -2934.455      -2934.455     
    129000  -10432.974     -10432.974     -10515.128     -10515.128      317.94093      317.94093      28084.789      28084.789     -1614.8666     -1614.8666    
Loop time of 46.7825 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.847 ns/day, 12.995 hours/ns, 21.376 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    | 46.68      | 46.68      | 46.68      |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.020282   | 0.020282   | 0.020282   |   0.0 |  0.04
Output  | 3.7831e-05 | 3.7831e-05 | 3.7831e-05 |   0.0 |  0.00
Modify  | 0.068288   | 0.068288   | 0.068288   |   0.0 |  0.15
Other   |            | 0.01415    |            |       |  0.03

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:       221638 ave      221638 max      221638 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221638
Ave neighs/atom = 110.819
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.886612199277, Press = -0.147445024418326
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   
    129000  -10432.974     -10432.974     -10515.128     -10515.128      317.94093      317.94093      28084.789      28084.789     -1614.8666     -1614.8666    
    130000  -10436.493     -10436.493     -10514.866     -10514.866      303.31283      303.31283      28060.254      28060.254     -380.61471     -380.61471    
Loop time of 46.7672 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.847 ns/day, 12.991 hours/ns, 21.383 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    | 46.676     | 46.676     | 46.676     |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.017224   | 0.017224   | 0.017224   |   0.0 |  0.04
Output  | 3.5437e-05 | 3.5437e-05 | 3.5437e-05 |   0.0 |  0.00
Modify  | 0.064189   | 0.064189   | 0.064189   |   0.0 |  0.14
Other   |            | 0.009777   |            |       |  0.02

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:       221758 ave      221758 max      221758 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221758
Ave neighs/atom = 110.879
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 = 312.891830179255, Press = -0.132750535455201
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   
    130000  -10436.493     -10436.493     -10514.866     -10514.866      303.31283      303.31283      28060.254      28060.254     -380.61471     -380.61471    
    131000  -10432.795     -10432.795     -10515.126     -10515.126      318.62814      318.62814      28048.246      28048.246      331.94459      331.94459    
Loop time of 46.7706 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.847 ns/day, 12.992 hours/ns, 21.381 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    | 46.682     | 46.682     | 46.682     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.016578   | 0.016578   | 0.016578   |   0.0 |  0.04
Output  | 3.2932e-05 | 3.2932e-05 | 3.2932e-05 |   0.0 |  0.00
Modify  | 0.063525   | 0.063525   | 0.063525   |   0.0 |  0.14
Other   |            | 0.008733   |            |       |  0.02

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:       221912 ave      221912 max      221912 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221912
Ave neighs/atom = 110.956
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.878093930416, Press = -0.0909101154851533
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   
    131000  -10432.795     -10432.795     -10515.126     -10515.126      318.62814      318.62814      28048.246      28048.246      331.94459      331.94459    
    132000  -10438.11      -10438.11      -10516.066     -10516.066      301.69526      301.69526      28029.86       28029.86       1193.0366      1193.0366    
Loop time of 46.6991 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.850 ns/day, 12.972 hours/ns, 21.414 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    | 46.614     | 46.614     | 46.614     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015474   | 0.015474   | 0.015474   |   0.0 |  0.03
Output  | 2.9285e-05 | 2.9285e-05 | 2.9285e-05 |   0.0 |  0.00
Modify  | 0.06254    | 0.06254    | 0.06254    |   0.0 |  0.13
Other   |            | 0.006893   |            |       |  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:       221844 ave      221844 max      221844 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221844
Ave neighs/atom = 110.922
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.876391490499, Press = 0.00998043509859084
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   
    132000  -10438.11      -10438.11      -10516.066     -10516.066      301.69526      301.69526      28029.86       28029.86       1193.0366      1193.0366    
    133000  -10432.584     -10432.584     -10514.257     -10514.257      316.0851       316.0851       28011.891      28011.891      2447.6856      2447.6856    
Loop time of 46.5967 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.854 ns/day, 12.944 hours/ns, 21.461 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    | 46.513     | 46.513     | 46.513     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01521    | 0.01521    | 0.01521    |   0.0 |  0.03
Output  | 2.2683e-05 | 2.2683e-05 | 2.2683e-05 |   0.0 |  0.00
Modify  | 0.062175   | 0.062175   | 0.062175   |   0.0 |  0.13
Other   |            | 0.006046   |            |       |  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:       221924 ave      221924 max      221924 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221924
Ave neighs/atom = 110.962
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.863211011179, Press = 0.440643337221931
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   
    133000  -10432.584     -10432.584     -10514.257     -10514.257      316.0851       316.0851       28011.891      28011.891      2447.6856      2447.6856    
    134000  -10435.023     -10435.023     -10515.583     -10515.583      311.77514      311.77514      28040.511      28040.511      706.32435      706.32435    
Loop time of 46.7108 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.850 ns/day, 12.975 hours/ns, 21.408 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    | 46.628     | 46.628     | 46.628     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01503    | 0.01503    | 0.01503    |   0.0 |  0.03
Output  | 3.1279e-05 | 3.1279e-05 | 3.1279e-05 |   0.0 |  0.00
Modify  | 0.061908   | 0.061908   | 0.061908   |   0.0 |  0.13
Other   |            | 0.005601   |            |       |  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:       221884 ave      221884 max      221884 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221884
Ave neighs/atom = 110.942
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.859966666999, Press = 0.776834909848081
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   
    134000  -10435.023     -10435.023     -10515.583     -10515.583      311.77514      311.77514      28040.511      28040.511      706.32435      706.32435    
    135000  -10432.448     -10432.448     -10513.231     -10513.231      312.63827      312.63827      28084.378      28084.378     -1245.7569     -1245.7569    
Loop time of 46.602 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.854 ns/day, 12.945 hours/ns, 21.458 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    | 46.52      | 46.52      | 46.52      |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014979   | 0.014979   | 0.014979   |   0.0 |  0.03
Output  | 3.1429e-05 | 3.1429e-05 | 3.1429e-05 |   0.0 |  0.00
Modify  | 0.061923   | 0.061923   | 0.061923   |   0.0 |  0.13
Other   |            | 0.005409   |            |       |  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:       222032 ave      222032 max      222032 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 222032
Ave neighs/atom = 111.016
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.864371389093, Press = 0.497347390481199
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   
    135000  -10432.448     -10432.448     -10513.231     -10513.231      312.63827      312.63827      28084.378      28084.378     -1245.7569     -1245.7569    
    136000  -10436.45      -10436.45      -10517.888     -10517.888      315.17407      315.17407      28080.394      28080.394     -1637.2623     -1637.2623    
Loop time of 46.5786 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.855 ns/day, 12.938 hours/ns, 21.469 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    | 46.496     | 46.496     | 46.496     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015153   | 0.015153   | 0.015153   |   0.0 |  0.03
Output  | 3.159e-05  | 3.159e-05  | 3.159e-05  |   0.0 |  0.00
Modify  | 0.061883   | 0.061883   | 0.061883   |   0.0 |  0.13
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:       221650 ave      221650 max      221650 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221650
Ave neighs/atom = 110.825
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 = 312.844654413551, Press = 0.17539567636362
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   
    136000  -10436.45      -10436.45      -10517.888     -10517.888      315.17407      315.17407      28080.394      28080.394     -1637.2623     -1637.2623    
    137000  -10432.802     -10432.802     -10512.086     -10512.086      306.83724      306.83724      28075.98       28075.98      -824.46203     -824.46203    
Loop time of 46.5183 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.857 ns/day, 12.922 hours/ns, 21.497 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    | 46.436     | 46.436     | 46.436     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014976   | 0.014976   | 0.014976   |   0.0 |  0.03
Output  | 2.2472e-05 | 2.2472e-05 | 2.2472e-05 |   0.0 |  0.00
Modify  | 0.061781   | 0.061781   | 0.061781   |   0.0 |  0.13
Other   |            | 0.005281   |            |       |  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:       221932 ave      221932 max      221932 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221932
Ave neighs/atom = 110.966
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.82730581482, Press = -0.0729051882136189
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   
    137000  -10432.802     -10432.802     -10512.086     -10512.086      306.83724      306.83724      28075.98       28075.98      -824.46203     -824.46203    
    138000  -10430.125     -10430.125     -10513.725     -10513.725      323.54031      323.54031      28062.888      28062.888     -90.114449     -90.114449    
Loop time of 46.4047 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.862 ns/day, 12.890 hours/ns, 21.550 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    | 46.323     | 46.323     | 46.323     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015002   | 0.015002   | 0.015002   |   0.0 |  0.03
Output  | 3.3784e-05 | 3.3784e-05 | 3.3784e-05 |   0.0 |  0.00
Modify  | 0.061797   | 0.061797   | 0.061797   |   0.0 |  0.13
Other   |            | 0.005263   |            |       |  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:       221824 ave      221824 max      221824 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221824
Ave neighs/atom = 110.912
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 = 312.825864756313, Press = -0.22901624207786
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   
    138000  -10430.125     -10430.125     -10513.725     -10513.725      323.54031      323.54031      28062.888      28062.888     -90.114449     -90.114449    
    139000  -10433.252     -10433.252     -10514.069     -10514.069      312.76969      312.76969      28028.055      28028.055      1473.8543      1473.8543    
Loop time of 46.5779 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.855 ns/day, 12.938 hours/ns, 21.469 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    | 46.496     | 46.496     | 46.496     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014934   | 0.014934   | 0.014934   |   0.0 |  0.03
Output  | 3.3032e-05 | 3.3032e-05 | 3.3032e-05 |   0.0 |  0.00
Modify  | 0.061752   | 0.061752   | 0.061752   |   0.0 |  0.13
Other   |            | 0.005274   |            |       |  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:       221808 ave      221808 max      221808 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221808
Ave neighs/atom = 110.904
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 = 312.826645758694, Press = -0.145608158037627
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   
    139000  -10433.252     -10433.252     -10514.069     -10514.069      312.76969      312.76969      28028.055      28028.055      1473.8543      1473.8543    
    140000  -10437.241     -10437.241     -10517.59      -10517.59       310.957        310.957        27997.361      27997.361      2978.8616      2978.8616    
Loop time of 46.6496 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.852 ns/day, 12.958 hours/ns, 21.436 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    | 46.568     | 46.568     | 46.568     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015017   | 0.015017   | 0.015017   |   0.0 |  0.03
Output  | 3.181e-05  | 3.181e-05  | 3.181e-05  |   0.0 |  0.00
Modify  | 0.061721   | 0.061721   | 0.061721   |   0.0 |  0.13
Other   |            | 0.00528    |            |       |  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:       221842 ave      221842 max      221842 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221842
Ave neighs/atom = 110.921
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.824177929691, Press = 0.213118285556541
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   
    140000  -10437.241     -10437.241     -10517.59      -10517.59       310.957        310.957        27997.361      27997.361      2978.8616      2978.8616    
    141000  -10434.375     -10434.375     -10514.372     -10514.372      309.5934       309.5934       27995.35       27995.35       3392.525       3392.525     
Loop time of 46.6285 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.853 ns/day, 12.952 hours/ns, 21.446 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    | 46.546     | 46.546     | 46.546     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01489    | 0.01489    | 0.01489    |   0.0 |  0.03
Output  | 2.8423e-05 | 2.8423e-05 | 2.8423e-05 |   0.0 |  0.00
Modify  | 0.061858   | 0.061858   | 0.061858   |   0.0 |  0.13
Other   |            | 0.005282   |            |       |  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:       222204 ave      222204 max      222204 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 222204
Ave neighs/atom = 111.102
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.815090047099, Press = 0.716462793050813
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   
    141000  -10434.375     -10434.375     -10514.372     -10514.372      309.5934       309.5934       27995.35       27995.35       3392.525       3392.525     
    142000  -10430.208     -10430.208     -10513.961     -10513.961      324.131        324.131        28055.37       28055.37       224.96537      224.96537    
Loop time of 46.4838 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.859 ns/day, 12.912 hours/ns, 21.513 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    | 46.402     | 46.402     | 46.402     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014863   | 0.014863   | 0.014863   |   0.0 |  0.03
Output  | 2.2512e-05 | 2.2512e-05 | 2.2512e-05 |   0.0 |  0.00
Modify  | 0.061677   | 0.061677   | 0.061677   |   0.0 |  0.13
Other   |            | 0.005261   |            |       |  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:       222164 ave      222164 max      222164 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 222164
Ave neighs/atom = 111.082
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.820257316354, Press = 0.724238187337
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   
    142000  -10430.208     -10430.208     -10513.961     -10513.961      324.131        324.131        28055.37       28055.37       224.96537      224.96537    
    143000  -10432.801     -10432.801     -10513.338     -10513.338      311.68565      311.68565      28080.297      28080.297     -1145.3178     -1145.3178    
Loop time of 46.5367 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.857 ns/day, 12.927 hours/ns, 21.488 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    | 46.455     | 46.455     | 46.455     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014972   | 0.014972   | 0.014972   |   0.0 |  0.03
Output  | 3.3072e-05 | 3.3072e-05 | 3.3072e-05 |   0.0 |  0.00
Modify  | 0.06187    | 0.06187    | 0.06187    |   0.0 |  0.13
Other   |            | 0.005266   |            |       |  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:       221828 ave      221828 max      221828 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221828
Ave neighs/atom = 110.914
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.846844775781, Press = 0.306992178846986
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   
    143000  -10432.801     -10432.801     -10513.338     -10513.338      311.68565      311.68565      28080.297      28080.297     -1145.3178     -1145.3178    
    144000  -10435.075     -10435.075     -10514.905     -10514.905      308.95178      308.95178      28083.852      28083.852     -1542.3402     -1542.3402    
Loop time of 46.6464 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.852 ns/day, 12.957 hours/ns, 21.438 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    | 46.564     | 46.564     | 46.564     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014973   | 0.014973   | 0.014973   |   0.0 |  0.03
Output  | 3.199e-05  | 3.199e-05  | 3.199e-05  |   0.0 |  0.00
Modify  | 0.061868   | 0.061868   | 0.061868   |   0.0 |  0.13
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:       221752 ave      221752 max      221752 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221752
Ave neighs/atom = 110.876
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 = 312.863866769567, Press = 0.113525888357587
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   
    144000  -10435.075     -10435.075     -10514.905     -10514.905      308.95178      308.95178      28083.852      28083.852     -1542.3402     -1542.3402    
    145000  -10432.252     -10432.252     -10513.205     -10513.205      313.29601      313.29601      28081.756      28081.756     -1231.8332     -1231.8332    
Loop time of 46.5378 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.857 ns/day, 12.927 hours/ns, 21.488 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    | 46.456     | 46.456     | 46.456     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014989   | 0.014989   | 0.014989   |   0.0 |  0.03
Output  | 2.9085e-05 | 2.9085e-05 | 2.9085e-05 |   0.0 |  0.00
Modify  | 0.061793   | 0.061793   | 0.061793   |   0.0 |  0.13
Other   |            | 0.005246   |            |       |  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:       221758 ave      221758 max      221758 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221758
Ave neighs/atom = 110.879
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 = 312.873825182466, Press = -0.148415402812638
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   
    145000  -10432.252     -10432.252     -10513.205     -10513.205      313.29601      313.29601      28081.756      28081.756     -1231.8332     -1231.8332    
    146000  -10433.977     -10433.977     -10515.002     -10515.002      313.57548      313.57548      28069.525      28069.525     -835.15662     -835.15662    
Loop time of 46.51 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.858 ns/day, 12.919 hours/ns, 21.501 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    | 46.428     | 46.428     | 46.428     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014916   | 0.014916   | 0.014916   |   0.0 |  0.03
Output  | 2.2101e-05 | 2.2101e-05 | 2.2101e-05 |   0.0 |  0.00
Modify  | 0.061811   | 0.061811   | 0.061811   |   0.0 |  0.13
Other   |            | 0.005276   |            |       |  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:       221734 ave      221734 max      221734 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221734
Ave neighs/atom = 110.867
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 = 312.874371889255, Press = -0.46528856248123
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   
    146000  -10433.977     -10433.977     -10515.002     -10515.002      313.57548      313.57548      28069.525      28069.525     -835.15662     -835.15662    
    147000  -10435.186     -10435.186     -10515.227     -10515.227      309.76843      309.76843      28018.983      28018.983      2013.0643      2013.0643    
Loop time of 46.5959 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.854 ns/day, 12.943 hours/ns, 21.461 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    | 46.514     | 46.514     | 46.514     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014944   | 0.014944   | 0.014944   |   0.0 |  0.03
Output  | 3.5808e-05 | 3.5808e-05 | 3.5808e-05 |   0.0 |  0.00
Modify  | 0.06181    | 0.06181    | 0.06181    |   0.0 |  0.13
Other   |            | 0.005276   |            |       |  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:       221768 ave      221768 max      221768 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221768
Ave neighs/atom = 110.884
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 = 312.876148085408, Press = -0.467997254038635
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   
    147000  -10435.186     -10435.186     -10515.227     -10515.227      309.76843      309.76843      28018.983      28018.983      2013.0643      2013.0643    
    148000  -10433.458     -10433.458     -10513.615     -10513.615      310.21388      310.21388      28016.673      28016.673      2272.5568      2272.5568    
Loop time of 46.5993 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.854 ns/day, 12.944 hours/ns, 21.460 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    | 46.517     | 46.517     | 46.517     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014907   | 0.014907   | 0.014907   |   0.0 |  0.03
Output  | 3.163e-05  | 3.163e-05  | 3.163e-05  |   0.0 |  0.00
Modify  | 0.061807   | 0.061807   | 0.061807   |   0.0 |  0.13
Other   |            | 0.005272   |            |       |  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:       222022 ave      222022 max      222022 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 222022
Ave neighs/atom = 111.011
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.8706626152, Press = 0.0893762178366331
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   
    148000  -10433.458     -10433.458     -10513.615     -10513.615      310.21388      310.21388      28016.673      28016.673      2272.5568      2272.5568    
    149000  -10431.584     -10431.584     -10513.42      -10513.42       316.71623      316.71623      28035.581      28035.581      1429.9812      1429.9812    
Loop time of 46.5581 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.856 ns/day, 12.933 hours/ns, 21.479 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    | 46.476     | 46.476     | 46.476     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01496    | 0.01496    | 0.01496    |   0.0 |  0.03
Output  | 3.2561e-05 | 3.2561e-05 | 3.2561e-05 |   0.0 |  0.00
Modify  | 0.061821   | 0.061821   | 0.061821   |   0.0 |  0.13
Other   |            | 0.005285   |            |       |  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:       222048 ave      222048 max      222048 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 222048
Ave neighs/atom = 111.024
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.892439800011, Press = 0.371933033749943
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   
    149000  -10431.584     -10431.584     -10513.42      -10513.42       316.71623      316.71623      28035.581      28035.581      1429.9812      1429.9812    
    150000  -10436.184     -10436.184     -10515.905     -10515.905      308.52996      308.52996      28048.069      28048.069      406.51501      406.51501    
Loop time of 46.6928 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.850 ns/day, 12.970 hours/ns, 21.417 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    | 46.611     | 46.611     | 46.611     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014941   | 0.014941   | 0.014941   |   0.0 |  0.03
Output  | 2.1891e-05 | 2.1891e-05 | 2.1891e-05 |   0.0 |  0.00
Modify  | 0.061828   | 0.061828   | 0.061828   |   0.0 |  0.13
Other   |            | 0.005271   |            |       |  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:       221984 ave      221984 max      221984 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221984
Ave neighs/atom = 110.992
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.88975388018, Press = 0.491254037967882
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   
    150000  -10436.184     -10436.184     -10515.905     -10515.905      308.52996      308.52996      28048.069      28048.069      406.51501      406.51501    
    151000  -10434.033     -10434.033     -10514.42      -10514.42       311.10485      311.10485      28077.146      28077.146     -1087.7536     -1087.7536    
Loop time of 46.6923 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.850 ns/day, 12.970 hours/ns, 21.417 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    | 46.61      | 46.61      | 46.61      |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014961   | 0.014961   | 0.014961   |   0.0 |  0.03
Output  | 3.3283e-05 | 3.3283e-05 | 3.3283e-05 |   0.0 |  0.00
Modify  | 0.061796   | 0.061796   | 0.061796   |   0.0 |  0.13
Other   |            | 0.00528    |            |       |  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:       222020 ave      222020 max      222020 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 222020
Ave neighs/atom = 111.01
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.886219704389, Press = 0.524129811932274
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   
    151000  -10434.033     -10434.033     -10514.42      -10514.42       311.10485      311.10485      28077.146      28077.146     -1087.7536     -1087.7536    
    152000  -10433.357     -10433.357     -10514.297     -10514.297      313.24912      313.24912      28137.993      28137.993     -4456.5007     -4456.5007    
Loop time of 46.625 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.853 ns/day, 12.951 hours/ns, 21.448 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    | 46.543     | 46.543     | 46.543     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014894   | 0.014894   | 0.014894   |   0.0 |  0.03
Output  | 3.2041e-05 | 3.2041e-05 | 3.2041e-05 |   0.0 |  0.00
Modify  | 0.061808   | 0.061808   | 0.061808   |   0.0 |  0.13
Other   |            | 0.00528    |            |       |  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:       221946 ave      221946 max      221946 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221946
Ave neighs/atom = 110.973
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.869713788838, Press = 0.39298141264536
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   
    152000  -10433.357     -10433.357     -10514.297     -10514.297      313.24912      313.24912      28137.993      28137.993     -4456.5007     -4456.5007    
    153000  -10436.288     -10436.288     -10516.838     -10516.838      311.73642      311.73642      28096.021      28096.021     -2471.6455     -2471.6455    
Loop time of 46.6601 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.852 ns/day, 12.961 hours/ns, 21.432 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    | 46.578     | 46.578     | 46.578     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014905   | 0.014905   | 0.014905   |   0.0 |  0.03
Output  | 3.1189e-05 | 3.1189e-05 | 3.1189e-05 |   0.0 |  0.00
Modify  | 0.061815   | 0.061815   | 0.061815   |   0.0 |  0.13
Other   |            | 0.005269   |            |       |  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:       221502 ave      221502 max      221502 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221502
Ave neighs/atom = 110.751
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.863763230031, Press = -0.00308091750232664
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   
    153000  -10436.288     -10436.288     -10516.838     -10516.838      311.73642      311.73642      28096.021      28096.021     -2471.6455     -2471.6455    
    154000  -10431.651     -10431.651     -10514.027     -10514.027      318.80573      318.80573      28069.242      28069.242     -599.25042     -599.25042    
Loop time of 46.6324 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.853 ns/day, 12.953 hours/ns, 21.444 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    | 46.55      | 46.55      | 46.55      |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014942   | 0.014942   | 0.014942   |   0.0 |  0.03
Output  | 2.9105e-05 | 2.9105e-05 | 2.9105e-05 |   0.0 |  0.00
Modify  | 0.061807   | 0.061807   | 0.061807   |   0.0 |  0.13
Other   |            | 0.005274   |            |       |  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:       221840 ave      221840 max      221840 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221840
Ave neighs/atom = 110.92
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.850187038296, Press = -0.0753404082756243
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   
    154000  -10431.651     -10431.651     -10514.027     -10514.027      318.80573      318.80573      28069.242      28069.242     -599.25042     -599.25042    
    155000  -10434.637     -10434.637     -10514.978     -10514.978      310.92603      310.92603      28043.565      28043.565      671.55532      671.55532    
Loop time of 46.5584 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.856 ns/day, 12.933 hours/ns, 21.478 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    | 46.476     | 46.476     | 46.476     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014953   | 0.014953   | 0.014953   |   0.0 |  0.03
Output  | 2.2172e-05 | 2.2172e-05 | 2.2172e-05 |   0.0 |  0.00
Modify  | 0.061782   | 0.061782   | 0.061782   |   0.0 |  0.13
Other   |            | 0.005276   |            |       |  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:       221788 ave      221788 max      221788 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221788
Ave neighs/atom = 110.894
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 = 312.849051546265, Press = -0.0479097127076777
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   
    155000  -10434.637     -10434.637     -10514.978     -10514.978      310.92603      310.92603      28043.565      28043.565      671.55532      671.55532    
    156000  -10433.199     -10433.199     -10513.251     -10513.251      309.80726      309.80726      28023.959      28023.959      1882.7595      1882.7595    
Loop time of 46.4634 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.860 ns/day, 12.907 hours/ns, 21.522 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    | 46.381     | 46.381     | 46.381     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014877   | 0.014877   | 0.014877   |   0.0 |  0.03
Output  | 3.203e-05  | 3.203e-05  | 3.203e-05  |   0.0 |  0.00
Modify  | 0.061794   | 0.061794   | 0.061794   |   0.0 |  0.13
Other   |            | 0.005279   |            |       |  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:       222002 ave      222002 max      222002 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 222002
Ave neighs/atom = 111.001
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.841650063049, Press = 0.134289415783308
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   
    156000  -10433.199     -10433.199     -10513.251     -10513.251      309.80726      309.80726      28023.959      28023.959      1882.7595      1882.7595    
    157000  -10430.788     -10430.788     -10512.83      -10512.83       317.50933      317.50933      27993.313      27993.313      3754.3309      3754.3309    
Loop time of 46.5529 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.856 ns/day, 12.931 hours/ns, 21.481 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    | 46.471     | 46.471     | 46.471     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014965   | 0.014965   | 0.014965   |   0.0 |  0.03
Output  | 3.4996e-05 | 3.4996e-05 | 3.4996e-05 |   0.0 |  0.00
Modify  | 0.061911   | 0.061911   | 0.061911   |   0.0 |  0.13
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:       221848 ave      221848 max      221848 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221848
Ave neighs/atom = 110.924
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 = 312.832639657666, Press = 0.576238997597147
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   
    157000  -10430.788     -10430.788     -10512.83      -10512.83       317.50933      317.50933      27993.313      27993.313      3754.3309      3754.3309    
    158000  -10435.258     -10435.258     -10515.392     -10515.392      310.12708      310.12708      28033.463      28033.463      1132.0231      1132.0231    
Loop time of 46.5795 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.855 ns/day, 12.939 hours/ns, 21.469 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    | 46.497     | 46.497     | 46.497     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014909   | 0.014909   | 0.014909   |   0.0 |  0.03
Output  | 3.2701e-05 | 3.2701e-05 | 3.2701e-05 |   0.0 |  0.00
Modify  | 0.061846   | 0.061846   | 0.061846   |   0.0 |  0.13
Other   |            | 0.005285   |            |       |  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:       221974 ave      221974 max      221974 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221974
Ave neighs/atom = 110.987
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.843510710753, Press = 0.715392036392947
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   
    158000  -10435.258     -10435.258     -10515.392     -10515.392      310.12708      310.12708      28033.463      28033.463      1132.0231      1132.0231    
    159000  -10432.61      -10432.61      -10515.908     -10515.908      322.3754       322.3754       28070.734      28070.734     -810.43777     -810.43777    
Loop time of 46.5408 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.856 ns/day, 12.928 hours/ns, 21.487 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    | 46.459     | 46.459     | 46.459     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015073   | 0.015073   | 0.015073   |   0.0 |  0.03
Output  | 4.4483e-05 | 4.4483e-05 | 4.4483e-05 |   0.0 |  0.00
Modify  | 0.061841   | 0.061841   | 0.061841   |   0.0 |  0.13
Other   |            | 0.005279   |            |       |  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:       221956 ave      221956 max      221956 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221956
Ave neighs/atom = 110.978
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.85187209428, Press = 0.398002730816229
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   
    159000  -10432.61      -10432.61      -10515.908     -10515.908      322.3754       322.3754       28070.734      28070.734     -810.43777     -810.43777    
    160000  -10437.605     -10437.605     -10516.572     -10516.572      305.60964      305.60964      28075.753      28075.753     -1159.7023     -1159.7023    
Loop time of 46.5114 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.858 ns/day, 12.920 hours/ns, 21.500 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    | 46.429     | 46.429     | 46.429     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014909   | 0.014909   | 0.014909   |   0.0 |  0.03
Output  | 3.4003e-05 | 3.4003e-05 | 3.4003e-05 |   0.0 |  0.00
Modify  | 0.061843   | 0.061843   | 0.061843   |   0.0 |  0.13
Other   |            | 0.005288   |            |       |  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:       221814 ave      221814 max      221814 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221814
Ave neighs/atom = 110.907
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 = 312.847213294562, Press = 0.270244724534679
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   
    160000  -10437.605     -10437.605     -10516.572     -10516.572      305.60964      305.60964      28075.753      28075.753     -1159.7023     -1159.7023    
    161000  -10431.487     -10431.487     -10512.757     -10512.757      314.5233       314.5233       28088.637      28088.637     -1442.304      -1442.304     
Loop time of 46.5731 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.855 ns/day, 12.937 hours/ns, 21.472 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    | 46.491     | 46.491     | 46.491     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014939   | 0.014939   | 0.014939   |   0.0 |  0.03
Output  | 3.21e-05   | 3.21e-05   | 3.21e-05   |   0.0 |  0.00
Modify  | 0.06178    | 0.06178    | 0.06178    |   0.0 |  0.13
Other   |            | 0.00527    |            |       |  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:       221932 ave      221932 max      221932 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221932
Ave neighs/atom = 110.966
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.835496133506, Press = 0.0596155095663981
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   
    161000  -10431.487     -10431.487     -10512.757     -10512.757      314.5233       314.5233       28088.637      28088.637     -1442.304      -1442.304     
    162000  -10434.964     -10434.964     -10514.864     -10514.864      309.21944      309.21944      28072.523      28072.523     -826.09837     -826.09837    
Loop time of 46.5906 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.854 ns/day, 12.942 hours/ns, 21.464 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    | 46.509     | 46.509     | 46.509     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014875   | 0.014875   | 0.014875   |   0.0 |  0.03
Output  | 3.748e-05  | 3.748e-05  | 3.748e-05  |   0.0 |  0.00
Modify  | 0.061762   | 0.061762   | 0.061762   |   0.0 |  0.13
Other   |            | 0.005273   |            |       |  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:       221698 ave      221698 max      221698 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221698
Ave neighs/atom = 110.849
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.843014854462, Press = -0.322106770342174
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   
    162000  -10434.964     -10434.964     -10514.864     -10514.864      309.21944      309.21944      28072.523      28072.523     -826.09837     -826.09837    
    163000  -10432.05      -10432.05      -10512.953     -10512.953      313.1034       313.1034       28032.42       28032.42       1456.8509      1456.8509    
Loop time of 46.5946 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.854 ns/day, 12.943 hours/ns, 21.462 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    | 46.512     | 46.512     | 46.512     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014962   | 0.014962   | 0.014962   |   0.0 |  0.03
Output  | 2.9535e-05 | 2.9535e-05 | 2.9535e-05 |   0.0 |  0.00
Modify  | 0.061834   | 0.061834   | 0.061834   |   0.0 |  0.13
Other   |            | 0.00528    |            |       |  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:       221822 ave      221822 max      221822 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221822
Ave neighs/atom = 110.911
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.845268529815, Press = -0.23896117085622
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   
    163000  -10432.05      -10432.05      -10512.953     -10512.953      313.1034       313.1034       28032.42       28032.42       1456.8509      1456.8509    
    164000  -10432.356     -10432.356     -10515.087     -10515.087      320.17846      320.17846      28032.632      28032.632      1304.4219      1304.4219    
Loop time of 46.6115 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.854 ns/day, 12.948 hours/ns, 21.454 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    | 46.529     | 46.529     | 46.529     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014967   | 0.014967   | 0.014967   |   0.0 |  0.03
Output  | 2.2242e-05 | 2.2242e-05 | 2.2242e-05 |   0.0 |  0.00
Modify  | 0.0618     | 0.0618     | 0.0618     |   0.0 |  0.13
Other   |            | 0.005271   |            |       |  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:       221760 ave      221760 max      221760 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221760
Ave neighs/atom = 110.88
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 = 312.85544170031, Press = 0.167808839146215
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   
    164000  -10432.356     -10432.356     -10515.087     -10515.087      320.17846      320.17846      28032.632      28032.632      1304.4219      1304.4219    
    165000  -10432.482     -10432.482     -10513.561     -10513.561      313.78084      313.78084      28035.731      28035.731      1174.8847      1174.8847    
Loop time of 46.6491 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.852 ns/day, 12.958 hours/ns, 21.437 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    | 46.567     | 46.567     | 46.567     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014966   | 0.014966   | 0.014966   |   0.0 |  0.03
Output  | 3.1559e-05 | 3.1559e-05 | 3.1559e-05 |   0.0 |  0.00
Modify  | 0.061753   | 0.061753   | 0.061753   |   0.0 |  0.13
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:       221962 ave      221962 max      221962 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221962
Ave neighs/atom = 110.981
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.858448856745, Press = 0.309473193358273
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   
    165000  -10432.482     -10432.482     -10513.561     -10513.561      313.78084      313.78084      28035.731      28035.731      1174.8847      1174.8847    
    166000  -10434.102     -10434.102     -10514.255     -10514.255      310.20014      310.20014      28044.727      28044.727      558.38526      558.38526    
Loop time of 46.5863 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.855 ns/day, 12.941 hours/ns, 21.466 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    | 46.504     | 46.504     | 46.504     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014942   | 0.014942   | 0.014942   |   0.0 |  0.03
Output  | 3.171e-05  | 3.171e-05  | 3.171e-05  |   0.0 |  0.00
Modify  | 0.06187    | 0.06187    | 0.06187    |   0.0 |  0.13
Other   |            | 0.005281   |            |       |  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:       221880 ave      221880 max      221880 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221880
Ave neighs/atom = 110.94
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.879308859746, Press = 0.406938328769663
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   
    166000  -10434.102     -10434.102     -10514.255     -10514.255      310.20014      310.20014      28044.727      28044.727      558.38526      558.38526    
    167000  -10430.84      -10430.84      -10513.465     -10513.465      319.76713      319.76713      28078.131      28078.131     -1238.085      -1238.085     
Loop time of 46.5453 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.856 ns/day, 12.929 hours/ns, 21.484 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    | 46.463     | 46.463     | 46.463     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014905   | 0.014905   | 0.014905   |   0.0 |  0.03
Output  | 3.21e-05   | 3.21e-05   | 3.21e-05   |   0.0 |  0.00
Modify  | 0.061827   | 0.061827   | 0.061827   |   0.0 |  0.13
Other   |            | 0.005285   |            |       |  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:       221958 ave      221958 max      221958 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221958
Ave neighs/atom = 110.979
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.890366854969, Press = 0.52343673772443
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   
    167000  -10430.84      -10430.84      -10513.465     -10513.465      319.76713      319.76713      28078.131      28078.131     -1238.085      -1238.085     
    168000  -10435.351     -10435.351     -10514.288     -10514.288      305.49429      305.49429      28129.256      28129.256     -4062.7071     -4062.7071    
Loop time of 46.52 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.857 ns/day, 12.922 hours/ns, 21.496 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    | 46.438     | 46.438     | 46.438     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014943   | 0.014943   | 0.014943   |   0.0 |  0.03
Output  | 2.2021e-05 | 2.2021e-05 | 2.2021e-05 |   0.0 |  0.00
Modify  | 0.061838   | 0.061838   | 0.061838   |   0.0 |  0.13
Other   |            | 0.005273   |            |       |  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:       221632 ave      221632 max      221632 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221632
Ave neighs/atom = 110.816
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.906498890728, Press = 0.355302055064858
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   
    168000  -10435.351     -10435.351     -10514.288     -10514.288      305.49429      305.49429      28129.256      28129.256     -4062.7071     -4062.7071    
    169000  -10430.808     -10430.808     -10512.398     -10512.398      315.76274      315.76274      28098.938      28098.938     -2099.1879     -2099.1879    
Loop time of 46.5989 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.854 ns/day, 12.944 hours/ns, 21.460 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    | 46.517     | 46.517     | 46.517     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014912   | 0.014912   | 0.014912   |   0.0 |  0.03
Output  | 3.198e-05  | 3.198e-05  | 3.198e-05  |   0.0 |  0.00
Modify  | 0.061766   | 0.061766   | 0.061766   |   0.0 |  0.13
Other   |            | 0.005289   |            |       |  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:       221682 ave      221682 max      221682 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221682
Ave neighs/atom = 110.841
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.911726591662, Press = 0.0923291165725594
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   
    169000  -10430.808     -10430.808     -10512.398     -10512.398      315.76274      315.76274      28098.938      28098.938     -2099.1879     -2099.1879    
    170000  -10434.709     -10434.709     -10516.196     -10516.196      315.36484      315.36484      28069.351      28069.351     -1033.3925     -1033.3925    
Loop time of 46.5708 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.855 ns/day, 12.936 hours/ns, 21.473 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    | 46.489     | 46.489     | 46.489     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014937   | 0.014937   | 0.014937   |   0.0 |  0.03
Output  | 3.219e-05  | 3.219e-05  | 3.219e-05  |   0.0 |  0.00
Modify  | 0.061797   | 0.061797   | 0.061797   |   0.0 |  0.13
Other   |            | 0.005264   |            |       |  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:       221752 ave      221752 max      221752 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221752
Ave neighs/atom = 110.876
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 = 312.925490469573, Press = -0.0440651165773081
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   
    170000  -10434.709     -10434.709     -10516.196     -10516.196      315.36484      315.36484      28069.351      28069.351     -1033.3925     -1033.3925    
    171000  -10433.747     -10433.747     -10514.155     -10514.155      311.18702      311.18702      28040.063      28040.063      818.35108      818.35108    
Loop time of 46.61 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.854 ns/day, 12.947 hours/ns, 21.455 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    | 46.528     | 46.528     | 46.528     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015021   | 0.015021   | 0.015021   |   0.0 |  0.03
Output  | 3.207e-05  | 3.207e-05  | 3.207e-05  |   0.0 |  0.00
Modify  | 0.061793   | 0.061793   | 0.061793   |   0.0 |  0.13
Other   |            | 0.005272   |            |       |  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:       221936 ave      221936 max      221936 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221936
Ave neighs/atom = 110.968
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.939439107092, Press = -0.0280170267011863
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   
    171000  -10433.747     -10433.747     -10514.155     -10514.155      311.18702      311.18702      28040.063      28040.063      818.35108      818.35108    
    172000  -10435.978     -10435.978     -10515.013     -10515.013      305.87122      305.87122      28018.195      28018.195      1797.8389      1797.8389    
Loop time of 46.5859 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.855 ns/day, 12.941 hours/ns, 21.466 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    | 46.504     | 46.504     | 46.504     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014916   | 0.014916   | 0.014916   |   0.0 |  0.03
Output  | 2.8213e-05 | 2.8213e-05 | 2.8213e-05 |   0.0 |  0.00
Modify  | 0.061756   | 0.061756   | 0.061756   |   0.0 |  0.13
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:       221840 ave      221840 max      221840 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221840
Ave neighs/atom = 110.92
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.94168811817, Press = 0.0976742649316974
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   
    172000  -10435.978     -10435.978     -10515.013     -10515.013      305.87122      305.87122      28018.195      28018.195      1797.8389      1797.8389    
    173000  -10432.695     -10432.695     -10514.979     -10514.979      318.45052      318.45052      28004.281      28004.281      2681.8428      2681.8428    
Loop time of 46.4853 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.859 ns/day, 12.913 hours/ns, 21.512 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    | 46.403     | 46.403     | 46.403     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014915   | 0.014915   | 0.014915   |   0.0 |  0.03
Output  | 2.4686e-05 | 2.4686e-05 | 2.4686e-05 |   0.0 |  0.00
Modify  | 0.061755   | 0.061755   | 0.061755   |   0.0 |  0.13
Other   |            | 0.005256   |            |       |  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:       221954 ave      221954 max      221954 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221954
Ave neighs/atom = 110.977
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.941239829422, Press = 0.280852484963852
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   
    173000  -10432.695     -10432.695     -10514.979     -10514.979      318.45052      318.45052      28004.281      28004.281      2681.8428      2681.8428    
    174000  -10436.223     -10436.223     -10517.534     -10517.534      314.68214      314.68214      28002.073      28002.073      2528.3321      2528.3321    
Loop time of 46.5986 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.854 ns/day, 12.944 hours/ns, 21.460 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    | 46.516     | 46.516     | 46.516     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014944   | 0.014944   | 0.014944   |   0.0 |  0.03
Output  | 3.144e-05  | 3.144e-05  | 3.144e-05  |   0.0 |  0.00
Modify  | 0.061897   | 0.061897   | 0.061897   |   0.0 |  0.13
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:       222052 ave      222052 max      222052 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 222052
Ave neighs/atom = 111.026
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.943492451528, Press = 0.60389776235865
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   
    174000  -10436.223     -10436.223     -10517.534     -10517.534      314.68214      314.68214      28002.073      28002.073      2528.3321      2528.3321    
    175000  -10432.758     -10432.758     -10513.973     -10513.973      314.31123      314.31123      28049.731      28049.731      426.87545      426.87545    
Loop time of 46.5455 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.856 ns/day, 12.929 hours/ns, 21.484 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    | 46.463     | 46.463     | 46.463     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014944   | 0.014944   | 0.014944   |   0.0 |  0.03
Output  | 3.2461e-05 | 3.2461e-05 | 3.2461e-05 |   0.0 |  0.00
Modify  | 0.061902   | 0.061902   | 0.061902   |   0.0 |  0.13
Other   |            | 0.005275   |            |       |  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:       222254 ave      222254 max      222254 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 222254
Ave neighs/atom = 111.127
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.93021472008, Press = 0.638073994386713
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   
    175000  -10432.758     -10432.758     -10513.973     -10513.973      314.31123      314.31123      28049.731      28049.731      426.87545      426.87545    
    176000  -10436.416     -10436.416     -10517.414     -10517.414      313.47023      313.47023      28065.434      28065.434     -819.45046     -819.45046    
Loop time of 46.6245 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.853 ns/day, 12.951 hours/ns, 21.448 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    | 46.542     | 46.542     | 46.542     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014965   | 0.014965   | 0.014965   |   0.0 |  0.03
Output  | 3.187e-05  | 3.187e-05  | 3.187e-05  |   0.0 |  0.00
Modify  | 0.061832   | 0.061832   | 0.061832   |   0.0 |  0.13
Other   |            | 0.005274   |            |       |  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:       221820 ave      221820 max      221820 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221820
Ave neighs/atom = 110.91
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 = 312.927514552371, Press = 0.362730828182683
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   
    176000  -10436.416     -10436.416     -10517.414     -10517.414      313.47023      313.47023      28065.434      28065.434     -819.45046     -819.45046    
    177000  -10431.579     -10431.579     -10513.676     -10513.676      317.72555      317.72555      28082.74       28082.74      -1517.0711     -1517.0711    
Loop time of 46.663 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.852 ns/day, 12.962 hours/ns, 21.430 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    | 46.581     | 46.581     | 46.581     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014904   | 0.014904   | 0.014904   |   0.0 |  0.03
Output  | 2.2012e-05 | 2.2012e-05 | 2.2012e-05 |   0.0 |  0.00
Modify  | 0.061777   | 0.061777   | 0.061777   |   0.0 |  0.13
Other   |            | 0.005257   |            |       |  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:       221912 ave      221912 max      221912 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221912
Ave neighs/atom = 110.956
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.918771843497, Press = 0.252661616134868
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   
    177000  -10431.579     -10431.579     -10513.676     -10513.676      317.72555      317.72555      28082.74       28082.74      -1517.0711     -1517.0711    
    178000  -10431.652     -10431.652     -10512.505     -10512.505      312.90821      312.90821      28082.359      28082.359     -1334.5085     -1334.5085    
Loop time of 46.525 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.857 ns/day, 12.924 hours/ns, 21.494 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    | 46.443     | 46.443     | 46.443     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014959   | 0.014959   | 0.014959   |   0.0 |  0.03
Output  | 3.2641e-05 | 3.2641e-05 | 3.2641e-05 |   0.0 |  0.00
Modify  | 0.061741   | 0.061741   | 0.061741   |   0.0 |  0.13
Other   |            | 0.00527    |            |       |  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:       221600 ave      221600 max      221600 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221600
Ave neighs/atom = 110.8
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.917010704044, Press = 0.0898741299923544
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   
    178000  -10431.652     -10431.652     -10512.505     -10512.505      312.90821      312.90821      28082.359      28082.359     -1334.5085     -1334.5085    
    179000  -10437.319     -10437.319     -10516.263     -10516.263      305.52185      305.52185      28075.261      28075.261     -1208.2321     -1208.2321    
Loop time of 46.5288 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.857 ns/day, 12.925 hours/ns, 21.492 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    | 46.447     | 46.447     | 46.447     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014908   | 0.014908   | 0.014908   |   0.0 |  0.03
Output  | 3.1749e-05 | 3.1749e-05 | 3.1749e-05 |   0.0 |  0.00
Modify  | 0.061768   | 0.061768   | 0.061768   |   0.0 |  0.13
Other   |            | 0.005249   |            |       |  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:       221528 ave      221528 max      221528 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221528
Ave neighs/atom = 110.764
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.913743933587, Press = -0.252116897954824
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   
    179000  -10437.319     -10437.319     -10516.263     -10516.263      305.52185      305.52185      28075.261      28075.261     -1208.2321     -1208.2321    
    180000  -10431.414     -10431.414     -10512.916     -10512.916      315.42112      315.42112      28040.867      28040.867      962.97307      962.97307    
Loop time of 46.702 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.850 ns/day, 12.973 hours/ns, 21.412 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    | 46.62      | 46.62      | 46.62      |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014923   | 0.014923   | 0.014923   |   0.0 |  0.03
Output  | 3.1279e-05 | 3.1279e-05 | 3.1279e-05 |   0.0 |  0.00
Modify  | 0.061717   | 0.061717   | 0.061717   |   0.0 |  0.13
Other   |            | 0.005278   |            |       |  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:       221912 ave      221912 max      221912 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221912
Ave neighs/atom = 110.956
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.905687947447, Press = -0.200212200487161
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   
    180000  -10431.414     -10431.414     -10512.916     -10512.916      315.42112      315.42112      28040.867      28040.867      962.97307      962.97307    
    181000  -10432.827     -10432.827     -10515.769     -10515.769      320.99392      320.99392      28021.931      28021.931      1719.1477      1719.1477    
Loop time of 46.6053 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.854 ns/day, 12.946 hours/ns, 21.457 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    | 46.523     | 46.523     | 46.523     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014863   | 0.014863   | 0.014863   |   0.0 |  0.03
Output  | 3.0588e-05 | 3.0588e-05 | 3.0588e-05 |   0.0 |  0.00
Modify  | 0.061746   | 0.061746   | 0.061746   |   0.0 |  0.13
Other   |            | 0.005288   |            |       |  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:       221804 ave      221804 max      221804 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221804
Ave neighs/atom = 110.902
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 = 312.902671323478, Press = 0.040383827495463
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   
    181000  -10432.827     -10432.827     -10515.769     -10515.769      320.99392      320.99392      28021.931      28021.931      1719.1477      1719.1477    
    182000  -10434.115     -10434.115     -10513.146     -10513.146      305.86043      305.86043      28020.752      28020.752      2054.5547      2054.5547    
Loop time of 46.7749 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.847 ns/day, 12.993 hours/ns, 21.379 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    | 46.693     | 46.693     | 46.693     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014985   | 0.014985   | 0.014985   |   0.0 |  0.03
Output  | 2.7762e-05 | 2.7762e-05 | 2.7762e-05 |   0.0 |  0.00
Modify  | 0.061823   | 0.061823   | 0.061823   |   0.0 |  0.13
Other   |            | 0.005361   |            |       |  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:       222082 ave      222082 max      222082 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 222082
Ave neighs/atom = 111.041
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.905416769945, Press = 0.333337130076196
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   
    182000  -10434.115     -10434.115     -10513.146     -10513.146      305.86043      305.86043      28020.752      28020.752      2054.5547      2054.5547    
    183000  -10433.213     -10433.213     -10514.078     -10514.078      312.95427      312.95427      28046.461      28046.461      520.57495      520.57495    
Loop time of 46.6463 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.852 ns/day, 12.957 hours/ns, 21.438 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    | 46.564     | 46.564     | 46.564     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01498    | 0.01498    | 0.01498    |   0.0 |  0.03
Output  | 4.6106e-05 | 4.6106e-05 | 4.6106e-05 |   0.0 |  0.00
Modify  | 0.062066   | 0.062066   | 0.062066   |   0.0 |  0.13
Other   |            | 0.005438   |            |       |  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:       221910 ave      221910 max      221910 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221910
Ave neighs/atom = 110.955
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.920396931746, Press = 0.406593111372988
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   
    183000  -10433.213     -10433.213     -10514.078     -10514.078      312.95427      312.95427      28046.461      28046.461      520.57495      520.57495    
    184000  -10438.58      -10438.58      -10517.085     -10517.085      303.82287      303.82287      28063.686      28063.686     -692.50291     -692.50291    
Loop time of 46.6208 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.853 ns/day, 12.950 hours/ns, 21.450 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    | 46.538     | 46.538     | 46.538     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014974   | 0.014974   | 0.014974   |   0.0 |  0.03
Output  | 4.5395e-05 | 4.5395e-05 | 4.5395e-05 |   0.0 |  0.00
Modify  | 0.062089   | 0.062089   | 0.062089   |   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:       221870 ave      221870 max      221870 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221870
Ave neighs/atom = 110.935
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.912486975348, Press = 0.419185277387179
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   
    184000  -10438.58      -10438.58      -10517.085     -10517.085      303.82287      303.82287      28063.686      28063.686     -692.50291     -692.50291    
    185000  -10433.92      -10433.92      -10514.627     -10514.627      312.34567      312.34567      28100.488      28100.488     -2406.6114     -2406.6114    
Loop time of 46.6523 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.852 ns/day, 12.959 hours/ns, 21.435 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    | 46.57      | 46.57      | 46.57      |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014919   | 0.014919   | 0.014919   |   0.0 |  0.03
Output  | 4.3932e-05 | 4.3932e-05 | 4.3932e-05 |   0.0 |  0.00
Modify  | 0.062039   | 0.062039   | 0.062039   |   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:       221992 ave      221992 max      221992 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221992
Ave neighs/atom = 110.996
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.910523755669, Press = 0.266677632442174
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   
    185000  -10433.92      -10433.92      -10514.627     -10514.627      312.34567      312.34567      28100.488      28100.488     -2406.6114     -2406.6114    
    186000  -10433.028     -10433.028     -10514.519     -10514.519      315.37682      315.37682      28112.634      28112.634     -3106.63       -3106.63      
Loop time of 46.7022 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.850 ns/day, 12.973 hours/ns, 21.412 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    | 46.62      | 46.62      | 46.62      |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014993   | 0.014993   | 0.014993   |   0.0 |  0.03
Output  | 2.4686e-05 | 2.4686e-05 | 2.4686e-05 |   0.0 |  0.00
Modify  | 0.062021   | 0.062021   | 0.062021   |   0.0 |  0.13
Other   |            | 0.005412   |            |       |  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:       221808 ave      221808 max      221808 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221808
Ave neighs/atom = 110.904
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 = 312.89975416216, Press = -0.0517212364533013
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   
    186000  -10433.028     -10433.028     -10514.519     -10514.519      315.37682      315.37682      28112.634      28112.634     -3106.63       -3106.63      
    187000  -10432.452     -10432.452     -10515.57      -10515.57       321.67624      321.67624      28070.728      28070.728     -866.1634      -866.1634     
Loop time of 46.6828 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.851 ns/day, 12.967 hours/ns, 21.421 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    | 46.6       | 46.6       | 46.6       |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015009   | 0.015009   | 0.015009   |   0.0 |  0.03
Output  | 5.0735e-05 | 5.0735e-05 | 5.0735e-05 |   0.0 |  0.00
Modify  | 0.06214    | 0.06214    | 0.06214    |   0.0 |  0.13
Other   |            | 0.005447   |            |       |  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:       221672 ave      221672 max      221672 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221672
Ave neighs/atom = 110.836
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.893186523294, Press = -0.104640602293733
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   
    187000  -10432.452     -10432.452     -10515.57      -10515.57       321.67624      321.67624      28070.728      28070.728     -866.1634      -866.1634     
    188000  -10433.368     -10433.368     -10513.785     -10513.785      311.22213      311.22213      28043.223      28043.223      736.52215      736.52215    
Loop time of 46.5244 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.857 ns/day, 12.923 hours/ns, 21.494 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    | 46.442     | 46.442     | 46.442     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015005   | 0.015005   | 0.015005   |   0.0 |  0.03
Output  | 4.6227e-05 | 4.6227e-05 | 4.6227e-05 |   0.0 |  0.00
Modify  | 0.062011   | 0.062011   | 0.062011   |   0.0 |  0.13
Other   |            | 0.005436   |            |       |  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:       221834 ave      221834 max      221834 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221834
Ave neighs/atom = 110.917
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.88623995089, Press = 0.0510418222384135
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   
    188000  -10433.368     -10433.368     -10513.785     -10513.785      311.22213      311.22213      28043.223      28043.223      736.52215      736.52215    
    189000  -10434.752     -10434.752     -10514.106     -10514.106      307.10978      307.10978      28030.993      28030.993      1173.4663      1173.4663    
Loop time of 46.6327 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.853 ns/day, 12.954 hours/ns, 21.444 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    | 46.55      | 46.55      | 46.55      |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014985   | 0.014985   | 0.014985   |   0.0 |  0.03
Output  | 4.8842e-05 | 4.8842e-05 | 4.8842e-05 |   0.0 |  0.00
Modify  | 0.062059   | 0.062059   | 0.062059   |   0.0 |  0.13
Other   |            | 0.005437   |            |       |  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:       221950 ave      221950 max      221950 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221950
Ave neighs/atom = 110.975
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.884874895336, Press = 0.207161618822454
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   
    189000  -10434.752     -10434.752     -10514.106     -10514.106      307.10978      307.10978      28030.993      28030.993      1173.4663      1173.4663    
    190000  -10433.145     -10433.145     -10513.076     -10513.076      309.34039      309.34039      28035.409      28035.409      1174.6544      1174.6544    
Loop time of 46.6061 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.854 ns/day, 12.946 hours/ns, 21.456 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    | 46.524     | 46.524     | 46.524     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014974   | 0.014974   | 0.014974   |   0.0 |  0.03
Output  | 2.9506e-05 | 2.9506e-05 | 2.9506e-05 |   0.0 |  0.00
Modify  | 0.062027   | 0.062027   | 0.062027   |   0.0 |  0.13
Other   |            | 0.005439   |            |       |  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:       221934 ave      221934 max      221934 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221934
Ave neighs/atom = 110.967
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.883560148124, Press = 0.322453372031367
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   
    190000  -10433.145     -10433.145     -10513.076     -10513.076      309.34039      309.34039      28035.409      28035.409      1174.6544      1174.6544    
    191000  -10436.536     -10436.536     -10515.631     -10515.631      306.10506      306.10506      28044.286      28044.286      371.27519      371.27519    
Loop time of 46.7488 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.848 ns/day, 12.986 hours/ns, 21.391 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    | 46.666     | 46.666     | 46.666     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014982   | 0.014982   | 0.014982   |   0.0 |  0.03
Output  | 2.639e-05  | 2.639e-05  | 2.639e-05  |   0.0 |  0.00
Modify  | 0.061976   | 0.061976   | 0.061976   |   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:       221870 ave      221870 max      221870 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221870
Ave neighs/atom = 110.935
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.881769352167, Press = 0.409707912966057
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   
    191000  -10436.536     -10436.536     -10515.631     -10515.631      306.10506      306.10506      28044.286      28044.286      371.27519      371.27519    
    192000  -10432.526     -10432.526     -10514.415     -10514.415      316.92052      316.92052      28074.779      28074.779     -1021.2904     -1021.2904    
Loop time of 46.6499 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.852 ns/day, 12.958 hours/ns, 21.436 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    | 46.567     | 46.567     | 46.567     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015038   | 0.015038   | 0.015038   |   0.0 |  0.03
Output  | 4.6097e-05 | 4.6097e-05 | 4.6097e-05 |   0.0 |  0.00
Modify  | 0.062101   | 0.062101   | 0.062101   |   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:       222062 ave      222062 max      222062 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 222062
Ave neighs/atom = 111.031
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.875472322853, Press = 0.430067508985812
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   
    192000  -10432.526     -10432.526     -10514.415     -10514.415      316.92052      316.92052      28074.779      28074.779     -1021.2904     -1021.2904    
    193000  -10436.543     -10436.543     -10516.308     -10516.308      308.70012      308.70012      28095.055      28095.055     -2396.9252     -2396.9252    
Loop time of 46.5863 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.855 ns/day, 12.941 hours/ns, 21.466 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    | 46.504     | 46.504     | 46.504     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015075   | 0.015075   | 0.015075   |   0.0 |  0.03
Output  | 4.9523e-05 | 4.9523e-05 | 4.9523e-05 |   0.0 |  0.00
Modify  | 0.062004   | 0.062004   | 0.062004   |   0.0 |  0.13
Other   |            | 0.005435   |            |       |  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:       221848 ave      221848 max      221848 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221848
Ave neighs/atom = 110.924
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 = 312.864086043696, Press = 0.281600258056299
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   
    193000  -10436.543     -10436.543     -10516.308     -10516.308      308.70012      308.70012      28095.055      28095.055     -2396.9252     -2396.9252    
    194000  -10432.493     -10432.493     -10515.037     -10515.037      319.45348      319.45348      28097.255      28097.255     -2316.4541     -2316.4541    
Loop time of 46.671 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.851 ns/day, 12.964 hours/ns, 21.427 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    | 46.588     | 46.588     | 46.588     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015008   | 0.015008   | 0.015008   |   0.0 |  0.03
Output  | 4.5205e-05 | 4.5205e-05 | 4.5205e-05 |   0.0 |  0.00
Modify  | 0.06201    | 0.06201    | 0.06201    |   0.0 |  0.13
Other   |            | 0.005451   |            |       |  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:       221914 ave      221914 max      221914 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221914
Ave neighs/atom = 110.957
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.864779898891, Press = 0.00403483606223827
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   
    194000  -10432.493     -10432.493     -10515.037     -10515.037      319.45348      319.45348      28097.255      28097.255     -2316.4541     -2316.4541    
    195000  -10435.259     -10435.259     -10513.82      -10513.82       304.04179      304.04179      28061.835      28061.835     -342.27487     -342.27487    
Loop time of 46.4996 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.858 ns/day, 12.917 hours/ns, 21.506 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    | 46.417     | 46.417     | 46.417     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015042   | 0.015042   | 0.015042   |   0.0 |  0.03
Output  | 2.5248e-05 | 2.5248e-05 | 2.5248e-05 |   0.0 |  0.00
Modify  | 0.06202    | 0.06202    | 0.06202    |   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:       221628 ave      221628 max      221628 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221628
Ave neighs/atom = 110.814
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.854052900932, Press = 0.0185570205100807
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   
    195000  -10435.259     -10435.259     -10513.82      -10513.82       304.04179      304.04179      28061.835      28061.835     -342.27487     -342.27487    
    196000  -10432.308     -10432.308     -10511.893     -10511.893      308.00205      308.00205      28059.758      28059.758     -109.21638     -109.21638    
Loop time of 46.5996 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.854 ns/day, 12.944 hours/ns, 21.459 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    | 46.517     | 46.517     | 46.517     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014973   | 0.014973   | 0.014973   |   0.0 |  0.03
Output  | 4.822e-05  | 4.822e-05  | 4.822e-05  |   0.0 |  0.00
Modify  | 0.06204    | 0.06204    | 0.06204    |   0.0 |  0.13
Other   |            | 0.005439   |            |       |  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:       221860 ave      221860 max      221860 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221860
Ave neighs/atom = 110.93
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.85924059831, Press = 0.120041515573885
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   
    196000  -10432.308     -10432.308     -10511.893     -10511.893      308.00205      308.00205      28059.758      28059.758     -109.21638     -109.21638    
    197000  -10434.335     -10434.335     -10515.078     -10515.078      312.48276      312.48276      28044.59       28044.59       580.68293      580.68293    
Loop time of 46.5433 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.856 ns/day, 12.929 hours/ns, 21.485 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    | 46.461     | 46.461     | 46.461     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014997   | 0.014997   | 0.014997   |   0.0 |  0.03
Output  | 8.3988e-05 | 8.3988e-05 | 8.3988e-05 |   0.0 |  0.00
Modify  | 0.062154   | 0.062154   | 0.062154   |   0.0 |  0.13
Other   |            | 0.005424   |            |       |  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:       221666 ave      221666 max      221666 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221666
Ave neighs/atom = 110.833
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.847808391545, Press = 0.191041010886435
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   
    197000  -10434.335     -10434.335     -10515.078     -10515.078      312.48276      312.48276      28044.59       28044.59       580.68293      580.68293    
    198000  -10435.808     -10435.808     -10515.337     -10515.337      307.78681      307.78681      28042.39       28042.39       792.08303      792.08303    
Loop time of 46.6774 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.851 ns/day, 12.966 hours/ns, 21.424 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    | 46.595     | 46.595     | 46.595     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014959   | 0.014959   | 0.014959   |   0.0 |  0.03
Output  | 4.6137e-05 | 4.6137e-05 | 4.6137e-05 |   0.0 |  0.00
Modify  | 0.062064   | 0.062064   | 0.062064   |   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:       222018 ave      222018 max      222018 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 222018
Ave neighs/atom = 111.009
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.844753888017, Press = 0.281030690533984
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   
    198000  -10435.808     -10435.808     -10515.337     -10515.337      307.78681      307.78681      28042.39       28042.39       792.08303      792.08303    
    199000  -10431.343     -10431.343     -10514.262     -10514.262      320.90681      320.90681      28055.535      28055.535      70.437812      70.437812    
Loop time of 46.6475 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.852 ns/day, 12.958 hours/ns, 21.437 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    | 46.565     | 46.565     | 46.565     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014972   | 0.014972   | 0.014972   |   0.0 |  0.03
Output  | 2.5307e-05 | 2.5307e-05 | 2.5307e-05 |   0.0 |  0.00
Modify  | 0.062105   | 0.062105   | 0.062105   |   0.0 |  0.13
Other   |            | 0.005425   |            |       |  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:       221972 ave      221972 max      221972 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221972
Ave neighs/atom = 110.986
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.844968405731, Press = 0.481463918634464
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   
    199000  -10431.343     -10431.343     -10514.262     -10514.262      320.90681      320.90681      28055.535      28055.535      70.437812      70.437812    
    200000  -10435.245     -10435.245     -10514.174     -10514.174      305.46265      305.46265      28082.951      28082.951     -1439.3762     -1439.3762    
Loop time of 46.7072 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.850 ns/day, 12.974 hours/ns, 21.410 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    | 46.625     | 46.625     | 46.625     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015069   | 0.015069   | 0.015069   |   0.0 |  0.03
Output  | 4.3582e-05 | 4.3582e-05 | 4.3582e-05 |   0.0 |  0.00
Modify  | 0.062041   | 0.062041   | 0.062041   |   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:       221812 ave      221812 max      221812 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221812
Ave neighs/atom = 110.906
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.859168227908, Press = 0.468666295932392
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   
    200000  -10435.245     -10435.245     -10514.174     -10514.174      305.46265      305.46265      28082.951      28082.951     -1439.3762     -1439.3762    
    201000  -10428.94      -10428.94      -10511.002     -10511.002      317.58645      317.58645      28108.584      28108.584     -2452.715      -2452.715     
Loop time of 46.6226 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.853 ns/day, 12.951 hours/ns, 21.449 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    | 46.54      | 46.54      | 46.54      |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014959   | 0.014959   | 0.014959   |   0.0 |  0.03
Output  | 4.8491e-05 | 4.8491e-05 | 4.8491e-05 |   0.0 |  0.00
Modify  | 0.062132   | 0.062132   | 0.062132   |   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:       221792 ave      221792 max      221792 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221792
Ave neighs/atom = 110.896
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 = 312.868161261982, Press = 0.199591963180394
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   
    201000  -10428.94      -10428.94      -10511.002     -10511.002      317.58645      317.58645      28108.584      28108.584     -2452.715      -2452.715     
    202000  -10435.263     -10435.263     -10516.234     -10516.234      313.3658       313.3658       28078.435      28078.435     -1436.8582     -1436.8582    
Loop time of 46.6079 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.854 ns/day, 12.947 hours/ns, 21.456 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    | 46.525     | 46.525     | 46.525     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015001   | 0.015001   | 0.015001   |   0.0 |  0.03
Output  | 4.3722e-05 | 4.3722e-05 | 4.3722e-05 |   0.0 |  0.00
Modify  | 0.062028   | 0.062028   | 0.062028   |   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:       221526 ave      221526 max      221526 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221526
Ave neighs/atom = 110.763
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.876314481085, Press = 0.0609305819710716
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   
    202000  -10435.263     -10435.263     -10516.234     -10516.234      313.3658       313.3658       28078.435      28078.435     -1436.8582     -1436.8582    
    203000  -10435.557     -10435.557     -10515.505     -10515.505      309.4045       309.4045       28063.315      28063.315     -508.77064     -508.77064    
Loop time of 46.5526 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.856 ns/day, 12.931 hours/ns, 21.481 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    | 46.47      | 46.47      | 46.47      |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015015   | 0.015015   | 0.015015   |   0.0 |  0.03
Output  | 4.3121e-05 | 4.3121e-05 | 4.3121e-05 |   0.0 |  0.00
Modify  | 0.06204    | 0.06204    | 0.06204    |   0.0 |  0.13
Other   |            | 0.005451   |            |       |  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:       221952 ave      221952 max      221952 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221952
Ave neighs/atom = 110.976
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.881076918415, Press = 0.0464566578058538
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   
    203000  -10435.557     -10435.557     -10515.505     -10515.505      309.4045       309.4045       28063.315      28063.315     -508.77064     -508.77064    
    204000  -10433.774     -10433.774     -10514.162     -10514.162      311.10751      311.10751      28049.586      28049.586      266.56641      266.56641    
Loop time of 46.6118 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.854 ns/day, 12.948 hours/ns, 21.454 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    | 46.529     | 46.529     | 46.529     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015079   | 0.015079   | 0.015079   |   0.0 |  0.03
Output  | 2.4756e-05 | 2.4756e-05 | 2.4756e-05 |   0.0 |  0.00
Modify  | 0.062041   | 0.062041   | 0.062041   |   0.0 |  0.13
Other   |            | 0.005453   |            |       |  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:       222018 ave      222018 max      222018 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 222018
Ave neighs/atom = 111.009
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.87845960117, Press = 0.129427427110747
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   
    204000  -10433.774     -10433.774     -10514.162     -10514.162      311.10751      311.10751      28049.586      28049.586      266.56641      266.56641    
    205000  -10432.207     -10432.207     -10512.753     -10512.753      311.72398      311.72398      28050.049      28050.049      532.47561      532.47561    
Loop time of 46.6848 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.851 ns/day, 12.968 hours/ns, 21.420 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    | 46.602     | 46.602     | 46.602     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015056   | 0.015056   | 0.015056   |   0.0 |  0.03
Output  | 4.5696e-05 | 4.5696e-05 | 4.5696e-05 |   0.0 |  0.00
Modify  | 0.062054   | 0.062054   | 0.062054   |   0.0 |  0.13
Other   |            | 0.005451   |            |       |  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:       221908 ave      221908 max      221908 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221908
Ave neighs/atom = 110.954
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.88065517501, Press = 0.179407011826107
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   
    205000  -10432.207     -10432.207     -10512.753     -10512.753      311.72398      311.72398      28050.049      28050.049      532.47561      532.47561    
    206000  -10432.632     -10432.632     -10513.448     -10513.448      312.76326      312.76326      28056.918      28056.918      79.928647      79.928647    
Loop time of 46.6371 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.853 ns/day, 12.955 hours/ns, 21.442 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    | 46.555     | 46.555     | 46.555     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01502    | 0.01502    | 0.01502    |   0.0 |  0.03
Output  | 4.5695e-05 | 4.5695e-05 | 4.5695e-05 |   0.0 |  0.00
Modify  | 0.062049   | 0.062049   | 0.062049   |   0.0 |  0.13
Other   |            | 0.005451   |            |       |  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:       221898 ave      221898 max      221898 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221898
Ave neighs/atom = 110.949
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.879284314867, Press = 0.148544207108097
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   
    206000  -10432.632     -10432.632     -10513.448     -10513.448      312.76326      312.76326      28056.918      28056.918      79.928647      79.928647    
    207000  -10432.095     -10432.095     -10514.121     -10514.121      317.44855      317.44855      28057.745      28057.745     -145.24405     -145.24405    
Loop time of 46.5981 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.854 ns/day, 12.944 hours/ns, 21.460 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    | 46.516     | 46.516     | 46.516     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014978   | 0.014978   | 0.014978   |   0.0 |  0.03
Output  | 4.6618e-05 | 4.6618e-05 | 4.6618e-05 |   0.0 |  0.00
Modify  | 0.062037   | 0.062037   | 0.062037   |   0.0 |  0.13
Other   |            | 0.005424   |            |       |  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:       221858 ave      221858 max      221858 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221858
Ave neighs/atom = 110.929
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.885949113746, Press = 0.0463808141729195
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   
    207000  -10432.095     -10432.095     -10514.121     -10514.121      317.44855      317.44855      28057.745      28057.745     -145.24405     -145.24405    
    208000  -10435.418     -10435.418     -10514.867     -10514.867      307.47532      307.47532      28036.482      28036.482      881.64399      881.64399    
Loop time of 46.5528 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.856 ns/day, 12.931 hours/ns, 21.481 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    | 46.47      | 46.47      | 46.47      |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014974   | 0.014974   | 0.014974   |   0.0 |  0.03
Output  | 2.4997e-05 | 2.4997e-05 | 2.4997e-05 |   0.0 |  0.00
Modify  | 0.062052   | 0.062052   | 0.062052   |   0.0 |  0.13
Other   |            | 0.005427   |            |       |  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:       221898 ave      221898 max      221898 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221898
Ave neighs/atom = 110.949
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.884219914288, Press = 0.111571876184833
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   
    208000  -10435.418     -10435.418     -10514.867     -10514.867      307.47532      307.47532      28036.482      28036.482      881.64399      881.64399    
    209000  -10432.846     -10432.846     -10513.732     -10513.732      313.03964      313.03964      28023.824      28023.824      1797.7372      1797.7372    
Loop time of 46.561 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.856 ns/day, 12.934 hours/ns, 21.477 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    | 46.478     | 46.478     | 46.478     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015042   | 0.015042   | 0.015042   |   0.0 |  0.03
Output  | 4.5937e-05 | 4.5937e-05 | 4.5937e-05 |   0.0 |  0.00
Modify  | 0.062101   | 0.062101   | 0.062101   |   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:       222020 ave      222020 max      222020 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 222020
Ave neighs/atom = 111.01
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.873295565843, Press = 0.298013368322461
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   
    209000  -10432.846     -10432.846     -10513.732     -10513.732      313.03964      313.03964      28023.824      28023.824      1797.7372      1797.7372    
    210000  -10432.359     -10432.359     -10515.262     -10515.262      320.84396      320.84396      28042.337      28042.337      799.86487      799.86487    
Loop time of 46.5634 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.856 ns/day, 12.934 hours/ns, 21.476 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    | 46.481     | 46.481     | 46.481     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014966   | 0.014966   | 0.014966   |   0.0 |  0.03
Output  | 4.6888e-05 | 4.6888e-05 | 4.6888e-05 |   0.0 |  0.00
Modify  | 0.061985   | 0.061985   | 0.061985   |   0.0 |  0.13
Other   |            | 0.005449   |            |       |  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:       221842 ave      221842 max      221842 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221842
Ave neighs/atom = 110.921
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.87108369195, Press = 0.490120562524115
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   
    210000  -10432.359     -10432.359     -10515.262     -10515.262      320.84396      320.84396      28042.337      28042.337      799.86487      799.86487    
    211000  -10433.788     -10433.788     -10514.691     -10514.691      313.10136      313.10136      28075.279      28075.279     -867.73055     -867.73055    
Loop time of 46.6787 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.851 ns/day, 12.966 hours/ns, 21.423 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    | 46.596     | 46.596     | 46.596     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01501    | 0.01501    | 0.01501    |   0.0 |  0.03
Output  | 4.6197e-05 | 4.6197e-05 | 4.6197e-05 |   0.0 |  0.00
Modify  | 0.062023   | 0.062023   | 0.062023   |   0.0 |  0.13
Other   |            | 0.005448   |            |       |  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:       222044 ave      222044 max      222044 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 222044
Ave neighs/atom = 111.022
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.875348499783, Press = 0.430696388333486
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   
    211000  -10433.788     -10433.788     -10514.691     -10514.691      313.10136      313.10136      28075.279      28075.279     -867.73055     -867.73055    
    212000  -10433.683     -10433.683     -10515.603     -10515.603      317.03958      317.03958      28091.471      28091.471     -2110.7342     -2110.7342    
Loop time of 46.557 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.856 ns/day, 12.932 hours/ns, 21.479 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    | 46.475     | 46.475     | 46.475     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014938   | 0.014938   | 0.014938   |   0.0 |  0.03
Output  | 3.9925e-05 | 3.9925e-05 | 3.9925e-05 |   0.0 |  0.00
Modify  | 0.061998   | 0.061998   | 0.061998   |   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:       221882 ave      221882 max      221882 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221882
Ave neighs/atom = 110.941
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.893848953405, Press = 0.227722395860074
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   
    212000  -10433.683     -10433.683     -10515.603     -10515.603      317.03958      317.03958      28091.471      28091.471     -2110.7342     -2110.7342    
    213000  -10430.353     -10430.353     -10514.022     -10514.022      323.80953      323.80953      28072.368      28072.368     -944.50935     -944.50935    
Loop time of 46.537 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.857 ns/day, 12.927 hours/ns, 21.488 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    | 46.454     | 46.454     | 46.454     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015013   | 0.015013   | 0.015013   |   0.0 |  0.03
Output  | 2.5107e-05 | 2.5107e-05 | 2.5107e-05 |   0.0 |  0.00
Modify  | 0.062014   | 0.062014   | 0.062014   |   0.0 |  0.13
Other   |            | 0.005431   |            |       |  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:       221884 ave      221884 max      221884 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221884
Ave neighs/atom = 110.942
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.898665194756, Press = 0.130512303523114
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   
    213000  -10430.353     -10430.353     -10514.022     -10514.022      323.80953      323.80953      28072.368      28072.368     -944.50935     -944.50935    
    214000  -10434.453     -10434.453     -10513.214     -10513.214      304.81062      304.81062      28055.673      28055.673     -100.24638     -100.24638    
Loop time of 46.5839 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.855 ns/day, 12.940 hours/ns, 21.467 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    | 46.501     | 46.501     | 46.501     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01502    | 0.01502    | 0.01502    |   0.0 |  0.03
Output  | 4.7639e-05 | 4.7639e-05 | 4.7639e-05 |   0.0 |  0.00
Modify  | 0.062097   | 0.062097   | 0.062097   |   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:       221770 ave      221770 max      221770 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221770
Ave neighs/atom = 110.885
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 = 312.899232502115, Press = 0.109658096693881
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   
    214000  -10434.453     -10434.453     -10513.214     -10513.214      304.81062      304.81062      28055.673      28055.673     -100.24638     -100.24638    
    215000  -10430.593     -10430.593     -10512.838     -10512.838      318.29723      318.29723      28060.47       28060.47      -124.77256     -124.77256    
Loop time of 46.4767 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.859 ns/day, 12.910 hours/ns, 21.516 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    | 46.394     | 46.394     | 46.394     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014987   | 0.014987   | 0.014987   |   0.0 |  0.03
Output  | 4.7971e-05 | 4.7971e-05 | 4.7971e-05 |   0.0 |  0.00
Modify  | 0.061988   | 0.061988   | 0.061988   |   0.0 |  0.13
Other   |            | 0.005434   |            |       |  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:       221754 ave      221754 max      221754 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221754
Ave neighs/atom = 110.877
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.9011236397, Press = 0.0810565459004397
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   
    215000  -10430.593     -10430.593     -10512.838     -10512.838      318.29723      318.29723      28060.47       28060.47      -124.77256     -124.77256    
    216000  -10435.091     -10435.091     -10514.099     -10514.099      305.77033      305.77033      28049.742      28049.742      169.28326      169.28326    
Loop time of 46.5181 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.857 ns/day, 12.922 hours/ns, 21.497 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    | 46.436     | 46.436     | 46.436     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014977   | 0.014977   | 0.014977   |   0.0 |  0.03
Output  | 4.6758e-05 | 4.6758e-05 | 4.6758e-05 |   0.0 |  0.00
Modify  | 0.062058   | 0.062058   | 0.062058   |   0.0 |  0.13
Other   |            | 0.005426   |            |       |  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:       221790 ave      221790 max      221790 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221790
Ave neighs/atom = 110.895
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 = 312.909030008665, Press = 0.0271640509600378
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   
    216000  -10435.091     -10435.091     -10514.099     -10514.099      305.77033      305.77033      28049.742      28049.742      169.28326      169.28326    
    217000  -10429.98      -10429.98      -10512.783     -10512.783      320.45755      320.45755      28038.786      28038.786      1087.0801      1087.0801    
Loop time of 46.5137 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.858 ns/day, 12.920 hours/ns, 21.499 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    | 46.431     | 46.431     | 46.431     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014963   | 0.014963   | 0.014963   |   0.0 |  0.03
Output  | 2.4526e-05 | 2.4526e-05 | 2.4526e-05 |   0.0 |  0.00
Modify  | 0.061973   | 0.061973   | 0.061973   |   0.0 |  0.13
Other   |            | 0.005419   |            |       |  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:       221882 ave      221882 max      221882 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221882
Ave neighs/atom = 110.941
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.918835192508, Press = 0.0447338887974163
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   
    217000  -10429.98      -10429.98      -10512.783     -10512.783      320.45755      320.45755      28038.786      28038.786      1087.0801      1087.0801    
    218000  -10433.458     -10433.458     -10514.698     -10514.698      314.40752      314.40752      28016.753      28016.753      2077.5342      2077.5342    
Loop time of 46.6213 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.853 ns/day, 12.950 hours/ns, 21.449 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    | 46.539     | 46.539     | 46.539     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014983   | 0.014983   | 0.014983   |   0.0 |  0.03
Output  | 4.6147e-05 | 4.6147e-05 | 4.6147e-05 |   0.0 |  0.00
Modify  | 0.062061   | 0.062061   | 0.062061   |   0.0 |  0.13
Other   |            | 0.005442   |            |       |  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:       221810 ave      221810 max      221810 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221810
Ave neighs/atom = 110.905
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 = 312.915463647206, Press = 0.168223931778813
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   
    218000  -10433.458     -10433.458     -10514.698     -10514.698      314.40752      314.40752      28016.753      28016.753      2077.5342      2077.5342    
    219000  -10435.723     -10435.723     -10513.069     -10513.069      299.33763      299.33763      28015.382      28015.382      2119.6265      2119.6265    
Loop time of 46.5945 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.854 ns/day, 12.943 hours/ns, 21.462 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    | 46.512     | 46.512     | 46.512     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015004   | 0.015004   | 0.015004   |   0.0 |  0.03
Output  | 4.6548e-05 | 4.6548e-05 | 4.6548e-05 |   0.0 |  0.00
Modify  | 0.062045   | 0.062045   | 0.062045   |   0.0 |  0.13
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:       222058 ave      222058 max      222058 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 222058
Ave neighs/atom = 111.029
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.911526977782, Press = 0.379036727516326
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   
    219000  -10435.723     -10435.723     -10513.069     -10513.069      299.33763      299.33763      28015.382      28015.382      2119.6265      2119.6265    
    220000  -10431.304     -10431.304     -10512.804     -10512.804      315.41509      315.41509      28058.066      28058.066     -43.48978      -43.48978     
Loop time of 46.5726 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.855 ns/day, 12.937 hours/ns, 21.472 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    | 46.49      | 46.49      | 46.49      |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015049   | 0.015049   | 0.015049   |   0.0 |  0.03
Output  | 4.5976e-05 | 4.5976e-05 | 4.5976e-05 |   0.0 |  0.00
Modify  | 0.062078   | 0.062078   | 0.062078   |   0.0 |  0.13
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:       221836 ave      221836 max      221836 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221836
Ave neighs/atom = 110.918
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 = 312.903404962063, Press = 0.416455193425098
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   
    220000  -10431.304     -10431.304     -10512.804     -10512.804      315.41509      315.41509      28058.066      28058.066     -43.48978      -43.48978     
    221000  -10434.719     -10434.719     -10514.5       -10514.5        308.76026      308.76026      28065.999      28065.999     -610.85657     -610.85657    
Loop time of 46.5783 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.855 ns/day, 12.938 hours/ns, 21.469 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    | 46.496     | 46.496     | 46.496     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015003   | 0.015003   | 0.015003   |   0.0 |  0.03
Output  | 3.8542e-05 | 3.8542e-05 | 3.8542e-05 |   0.0 |  0.00
Modify  | 0.062061   | 0.062061   | 0.062061   |   0.0 |  0.13
Other   |            | 0.005451   |            |       |  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:       221644 ave      221644 max      221644 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221644
Ave neighs/atom = 110.822
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.903126783852, Press = 0.241776431662789
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   
    221000  -10434.719     -10434.719     -10514.5       -10514.5        308.76026      308.76026      28065.999      28065.999     -610.85657     -610.85657    
    222000  -10429.891     -10429.891     -10510.927     -10510.927      313.61807      313.61807      28068.69       28068.69      -346.96787     -346.96787    
Loop time of 46.5118 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.858 ns/day, 12.920 hours/ns, 21.500 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    | 46.429     | 46.429     | 46.429     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014996   | 0.014996   | 0.014996   |   0.0 |  0.03
Output  | 2.4547e-05 | 2.4547e-05 | 2.4547e-05 |   0.0 |  0.00
Modify  | 0.061981   | 0.061981   | 0.061981   |   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:       221892 ave      221892 max      221892 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221892
Ave neighs/atom = 110.946
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.915808490703, Press = 0.129861026587261
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   
    222000  -10429.891     -10429.891     -10510.927     -10510.927      313.61807      313.61807      28068.69       28068.69      -346.96787     -346.96787    
    223000  -10435.721     -10435.721     -10512.427     -10512.427      296.86055      296.86055      28059.591      28059.591     -204.4073      -204.4073     
Loop time of 46.5893 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.855 ns/day, 12.941 hours/ns, 21.464 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    | 46.507     | 46.507     | 46.507     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015154   | 0.015154   | 0.015154   |   0.0 |  0.03
Output  | 4.6728e-05 | 4.6728e-05 | 4.6728e-05 |   0.0 |  0.00
Modify  | 0.062053   | 0.062053   | 0.062053   |   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:       221728 ave      221728 max      221728 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221728
Ave neighs/atom = 110.864
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 = 312.923917888558, Press = 0.0871522988243741
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   
    223000  -10435.721     -10435.721     -10512.427     -10512.427      296.86055      296.86055      28059.591      28059.591     -204.4073      -204.4073     
    224000  -10432.183     -10432.183     -10512.815     -10512.815      312.05612      312.05612      28071.863      28071.863     -677.30473     -677.30473    
Loop time of 46.626 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.853 ns/day, 12.952 hours/ns, 21.447 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    | 46.543     | 46.543     | 46.543     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015063   | 0.015063   | 0.015063   |   0.0 |  0.03
Output  | 4.4373e-05 | 4.4373e-05 | 4.4373e-05 |   0.0 |  0.00
Modify  | 0.062149   | 0.062149   | 0.062149   |   0.0 |  0.13
Other   |            | 0.005448   |            |       |  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:       221766 ave      221766 max      221766 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221766
Ave neighs/atom = 110.883
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 = 312.930456404113, Press = -0.0376532343937548
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   
    224000  -10432.183     -10432.183     -10512.815     -10512.815      312.05612      312.05612      28071.863      28071.863     -677.30473     -677.30473    
    225000  -10439.119     -10439.119     -10519.057     -10519.057      309.36999      309.36999      28048.064      28048.064     -59.062457     -59.062457    
Loop time of 46.6192 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.853 ns/day, 12.950 hours/ns, 21.450 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    | 46.537     | 46.537     | 46.537     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014985   | 0.014985   | 0.014985   |   0.0 |  0.03
Output  | 4.5776e-05 | 4.5776e-05 | 4.5776e-05 |   0.0 |  0.00
Modify  | 0.062066   | 0.062066   | 0.062066   |   0.0 |  0.13
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:       221794 ave      221794 max      221794 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221794
Ave neighs/atom = 110.897
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 = 312.921688368437, Press = -0.184118350778246
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   
    225000  -10439.119     -10439.119     -10519.057     -10519.057      309.36999      309.36999      28048.064      28048.064     -59.062457     -59.062457    
    226000  -10432.394     -10432.394     -10513.39      -10513.39       313.46353      313.46353      28021.045      28021.045      1977.5778      1977.5778    
Loop time of 46.5541 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.856 ns/day, 12.932 hours/ns, 21.480 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    | 46.472     | 46.472     | 46.472     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015012   | 0.015012   | 0.015012   |   0.0 |  0.03
Output  | 2.5118e-05 | 2.5118e-05 | 2.5118e-05 |   0.0 |  0.00
Modify  | 0.062077   | 0.062077   | 0.062077   |   0.0 |  0.13
Other   |            | 0.005435   |            |       |  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:       222128 ave      222128 max      222128 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 222128
Ave neighs/atom = 111.064
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.918554601457, Press = -0.0925507087895158
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   
    226000  -10432.394     -10432.394     -10513.39      -10513.39       313.46353      313.46353      28021.045      28021.045      1977.5778      1977.5778    
    227000  -10432.724     -10432.724     -10513.845     -10513.845      313.94825      313.94825      28023.149      28023.149      1841.8299      1841.8299    
Loop time of 46.6511 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.852 ns/day, 12.959 hours/ns, 21.436 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    | 46.569     | 46.569     | 46.569     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014937   | 0.014937   | 0.014937   |   0.0 |  0.03
Output  | 4.5916e-05 | 4.5916e-05 | 4.5916e-05 |   0.0 |  0.00
Modify  | 0.062053   | 0.062053   | 0.062053   |   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:       222032 ave      222032 max      222032 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 222032
Ave neighs/atom = 111.016
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.909740047467, Press = 0.14564669044291
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   
    227000  -10432.724     -10432.724     -10513.845     -10513.845      313.94825      313.94825      28023.149      28023.149      1841.8299      1841.8299    
    228000  -10431.816     -10431.816     -10514.666     -10514.666      320.63846      320.63846      28044.148      28044.148      716.45887      716.45887    
Loop time of 46.5749 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.855 ns/day, 12.937 hours/ns, 21.471 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    | 46.492     | 46.492     | 46.492     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014992   | 0.014992   | 0.014992   |   0.0 |  0.03
Output  | 4.4524e-05 | 4.4524e-05 | 4.4524e-05 |   0.0 |  0.00
Modify  | 0.062108   | 0.062108   | 0.062108   |   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:       221978 ave      221978 max      221978 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221978
Ave neighs/atom = 110.989
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.90600061272, Press = 0.201462759630935
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   
    228000  -10431.816     -10431.816     -10514.666     -10514.666      320.63846      320.63846      28044.148      28044.148      716.45887      716.45887    
    229000  -10433.255     -10433.255     -10513.585     -10513.585      310.8834       310.8834       28055.837      28055.837      47.073432      47.073432    
Loop time of 46.6003 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.854 ns/day, 12.945 hours/ns, 21.459 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    | 46.518     | 46.518     | 46.518     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015101   | 0.015101   | 0.015101   |   0.0 |  0.03
Output  | 4.4604e-05 | 4.4604e-05 | 4.4604e-05 |   0.0 |  0.00
Modify  | 0.06211    | 0.06211    | 0.06211    |   0.0 |  0.13
Other   |            | 0.005426   |            |       |  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:       221904 ave      221904 max      221904 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221904
Ave neighs/atom = 110.952
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.906819294234, Press = 0.180281466228436
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   
    229000  -10433.255     -10433.255     -10513.585     -10513.585      310.8834       310.8834       28055.837      28055.837      47.073432      47.073432    
    230000  -10433.547     -10433.547     -10514.602     -10514.602      313.69155      313.69155      28054.967      28054.967      147.22621      147.22621    
Loop time of 46.5114 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.858 ns/day, 12.920 hours/ns, 21.500 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    | 46.429     | 46.429     | 46.429     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015048   | 0.015048   | 0.015048   |   0.0 |  0.03
Output  | 3.6829e-05 | 3.6829e-05 | 3.6829e-05 |   0.0 |  0.00
Modify  | 0.062137   | 0.062137   | 0.062137   |   0.0 |  0.13
Other   |            | 0.005447   |            |       |  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:       221924 ave      221924 max      221924 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221924
Ave neighs/atom = 110.962
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.921272651469, Press = 0.122875631570062
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   
    230000  -10433.547     -10433.547     -10514.602     -10514.602      313.69155      313.69155      28054.967      28054.967      147.22621      147.22621    
    231000  -10429.999     -10429.999     -10511.566     -10511.566      315.66988      315.66988      28069.289      28069.289     -416.76086     -416.76086    
Loop time of 46.5364 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.857 ns/day, 12.927 hours/ns, 21.489 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    | 46.454     | 46.454     | 46.454     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014999   | 0.014999   | 0.014999   |   0.0 |  0.03
Output  | 2.5298e-05 | 2.5298e-05 | 2.5298e-05 |   0.0 |  0.00
Modify  | 0.062082   | 0.062082   | 0.062082   |   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:       221972 ave      221972 max      221972 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221972
Ave neighs/atom = 110.986
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.92478391069, Press = 0.0677407436617958
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   
    231000  -10429.999     -10429.999     -10511.566     -10511.566      315.66988      315.66988      28069.289      28069.289     -416.76086     -416.76086    
    232000  -10433.752     -10433.752     -10514.864     -10514.864      313.91372      313.91372      28063.299      28063.299     -580.70959     -580.70959    
Loop time of 46.5674 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.855 ns/day, 12.935 hours/ns, 21.474 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    | 46.485     | 46.485     | 46.485     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015002   | 0.015002   | 0.015002   |   0.0 |  0.03
Output  | 4.4363e-05 | 4.4363e-05 | 4.4363e-05 |   0.0 |  0.00
Modify  | 0.062014   | 0.062014   | 0.062014   |   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:       221748 ave      221748 max      221748 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221748
Ave neighs/atom = 110.874
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 = 312.940105734492, Press = -0.0231588742321991
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   
    232000  -10433.752     -10433.752     -10514.864     -10514.864      313.91372      313.91372      28063.299      28063.299     -580.70959     -580.70959    
    233000  -10430.79      -10430.79      -10511.823     -10511.823      313.60318      313.60318      28052.325      28052.325      280.98456      280.98456    
Loop time of 46.5684 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.855 ns/day, 12.936 hours/ns, 21.474 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    | 46.486     | 46.486     | 46.486     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015012   | 0.015012   | 0.015012   |   0.0 |  0.03
Output  | 4.772e-05  | 4.772e-05  | 4.772e-05  |   0.0 |  0.00
Modify  | 0.062118   | 0.062118   | 0.062118   |   0.0 |  0.13
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:       221868 ave      221868 max      221868 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221868
Ave neighs/atom = 110.934
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.942119640973, Press = -0.0568018623709956
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   
    233000  -10430.79      -10430.79      -10511.823     -10511.823      313.60318      313.60318      28052.325      28052.325      280.98456      280.98456    
    234000  -10433.459     -10433.459     -10515.445     -10515.445      317.2939       317.2939       28024.466      28024.466      1491.7791      1491.7791    
Loop time of 46.4555 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.860 ns/day, 12.904 hours/ns, 21.526 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    | 46.373     | 46.373     | 46.373     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015067   | 0.015067   | 0.015067   |   0.0 |  0.03
Output  | 4.1227e-05 | 4.1227e-05 | 4.1227e-05 |   0.0 |  0.00
Modify  | 0.062126   | 0.062126   | 0.062126   |   0.0 |  0.13
Other   |            | 0.005437   |            |       |  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:       221664 ave      221664 max      221664 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221664
Ave neighs/atom = 110.832
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${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_T313.15.out"  else  "print 'not_converged'  file output/vol_T313.15.out"
print '${V}'  file output/vol_T313.15.out
28056.1337900956

print "LAMMPS calculation completed"
LAMMPS calculation completed
quit 0