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

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

# create a supercell with cubic lattice (fcc, bcc, sc, or diamond)
# using 10*10*10 conventional (orthogonal) unit cells
variable latticeconst_converted equal 2.863645806908607*${_u_distance}
variable latticeconst_converted equal 2.863645806908607*1
lattice       bcc  ${latticeconst_converted}
lattice       bcc  2.86364580690861
Lattice spacing in x,y,z = 2.8636458 2.8636458 2.8636458
region        simbox  block 0 10 0 10 0 10 units lattice
create_box    1 simbox
Created orthogonal box = (0 0 0) to (28.636458 28.636458 28.636458)
  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 (28.636458 28.636458 28.636458)
  create_atoms CPU = 0.000 seconds

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

kim_interactions Fe

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

kim interactions Fe
#=== BEGIN kim interactions ==================================
pair_style kim MEAM_LAMMPS_JeongParkDo_2018_PdFe__MO_924736622203_002
pair_coeff * * Fe
#=== END kim interactions ====================================


mass          1 ${mass_converted}
mass          1 55.845

# initial volume
variable      v equal vol        # assign formula
variable      V0 equal ${v}    # evaluate initial value
variable      V0 equal 23483.2338195995    
variable      V0_metal equal ${V0}/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 23483.2338195995/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 23483.2338195995/(1*${_u_distance}*${_u_distance})
variable      V0_metal equal 23483.2338195995/(1*1*${_u_distance})
variable      V0_metal equal 23483.2338195995/(1*1*1)
variable      V0_metal_times1000 equal ${V0_metal}*1000
variable      V0_metal_times1000 equal 23483.2338195995*1000

print "Initial system volume: ${V0_metal} Angstroms^3"
Initial system volume: 23483.2338195995 Angstroms^3

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

variable temp_converted equal 253.15*${_u_temperature}
variable temp_converted equal 253.15*1
variable Tdamp_converted equal 0.1*${_u_time}
variable Tdamp_converted equal 0.1*1
variable press_converted equal 0.0*${_u_pressure}
variable press_converted equal 0.0*1
variable Pdamp_converted equal 1*${_u_time}
variable Pdamp_converted equal 1*1

# create initial velocities consistent with the chosen temperature
velocity      all create ${temp_converted} 17 mom yes rot yes
velocity      all create 253.15 17 mom yes rot yes

# set NPT ensemble for all atoms
fix           ensemble all npt temp ${temp_converted} ${temp_converted} ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 253.15 ${temp_converted} ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 253.15 253.15 ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 253.15 253.15 0.1               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 253.15 253.15 0.1               iso 0 ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 253.15 253.15 0.1               iso 0 0 ${Pdamp_converted}
fix           ensemble all npt temp 253.15 253.15 0.1               iso 0 0 1

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

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

# set error bounds for temperature and pressure in original metal units (K and bar)
variable      T_low equal  "253.15 - 0.2"
variable      T_up  equal  "253.15 + 0.2"
variable      P_low equal  "0.0 - 0.2"
variable      P_up  equal  "0.0 + 0.2"

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

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

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

Your simulation uses code contributions which should be cited:

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

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

- OpenKIM potential: https://openkim.org/cite/MO_924736622203_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 = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8515.0077     -8515.0077     -8580.4194     -8580.4194      253.15         253.15         23483.234      23483.234      2975.1667      2975.1667    
      1000  -8447.1047     -8447.1047     -8509.9445     -8509.9445      243.19634      243.19634      23735.876      23735.876     -2921.421      -2921.421     
Loop time of 60.1604 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.436 ns/day, 16.711 hours/ns, 16.622 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    | 60.079     | 60.079     | 60.079     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01515    | 0.01515    | 0.01515    |   0.0 |  0.03
Output  | 0.00010976 | 0.00010976 | 0.00010976 |   0.0 |  0.00
Modify  | 0.06019    | 0.06019    | 0.06019    |   0.0 |  0.10
Other   |            | 0.005493   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 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 = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.1047     -8447.1047     -8509.9445     -8509.9445      243.19634      243.19634      23735.876      23735.876     -2921.421      -2921.421     
      2000  -8447.1338     -8447.1338     -8511.0683     -8511.0683      247.43334      247.43334      23655.987      23655.987      2625.7211      2625.7211    
Loop time of 63.2597 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.366 ns/day, 17.572 hours/ns, 15.808 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    | 63.18      | 63.18      | 63.18      |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015038   | 0.015038   | 0.015038   |   0.0 |  0.02
Output  | 5.7318e-05 | 5.7318e-05 | 5.7318e-05 |   0.0 |  0.00
Modify  | 0.059299   | 0.059299   | 0.059299   |   0.0 |  0.09
Other   |            | 0.005204   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       213750 ave      213750 max      213750 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 213750
Ave neighs/atom = 106.875
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 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 = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.1338     -8447.1338     -8511.0683     -8511.0683      247.43334      247.43334      23655.987      23655.987      2625.7211      2625.7211    
      3000  -8448.3831     -8448.3831     -8514.3001     -8514.3001      255.10539      255.10539      23702.663      23702.663     -1090.7569     -1090.7569    
Loop time of 63.6213 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.673 hours/ns, 15.718 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    | 63.542     | 63.542     | 63.542     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014942   | 0.014942   | 0.014942   |   0.0 |  0.02
Output  | 6.4011e-05 | 6.4011e-05 | 6.4011e-05 |   0.0 |  0.00
Modify  | 0.059421   | 0.059421   | 0.059421   |   0.0 |  0.09
Other   |            | 0.005286   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214828 ave      214828 max      214828 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214828
Ave neighs/atom = 107.414
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8448.3831     -8448.3831     -8514.3001     -8514.3001      255.10539      255.10539      23702.663      23702.663     -1090.7569     -1090.7569    
      4000  -8445.9179     -8445.9179     -8510.6538     -8510.6538      250.53462      250.53462      23683.896      23683.896      771.80592      771.80592    
Loop time of 63.6428 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.679 hours/ns, 15.713 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    | 63.563     | 63.563     | 63.563     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015058   | 0.015058   | 0.015058   |   0.0 |  0.02
Output  | 4.6317e-05 | 4.6317e-05 | 4.6317e-05 |   0.0 |  0.00
Modify  | 0.05943    | 0.05943    | 0.05943    |   0.0 |  0.09
Other   |            | 0.005253   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214680 ave      214680 max      214680 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214680
Ave neighs/atom = 107.34
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8445.9179     -8445.9179     -8510.6538     -8510.6538      250.53462      250.53462      23683.896      23683.896      771.80592      771.80592    
      5000  -8449.0329     -8449.0329     -8513.471      -8513.471       249.38185      249.38185      23686.114      23686.114      78.941603      78.941603    
Loop time of 63.8341 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.354 ns/day, 17.732 hours/ns, 15.666 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    | 63.754     | 63.754     | 63.754     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014918   | 0.014918   | 0.014918   |   0.0 |  0.02
Output  | 3.7461e-05 | 3.7461e-05 | 3.7461e-05 |   0.0 |  0.00
Modify  | 0.059681   | 0.059681   | 0.059681   |   0.0 |  0.09
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:       214922 ave      214922 max      214922 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214922
Ave neighs/atom = 107.461
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 251.697451317379, Press = -297.280291335443
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8449.0329     -8449.0329     -8513.471      -8513.471       249.38185      249.38185      23686.114      23686.114      78.941603      78.941603    
      6000  -8446.9742     -8446.9742     -8509.7688     -8509.7688      243.02155      243.02155      23676.153      23676.153      1482.5461      1482.5461    
Loop time of 63.6619 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.357 ns/day, 17.684 hours/ns, 15.708 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    | 63.58      | 63.58      | 63.58      |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01498    | 0.01498    | 0.01498    |   0.0 |  0.02
Output  | 7.5413e-05 | 7.5413e-05 | 7.5413e-05 |   0.0 |  0.00
Modify  | 0.06203    | 0.06203    | 0.06203    |   0.0 |  0.10
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:       214650 ave      214650 max      214650 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214650
Ave neighs/atom = 107.325
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 251.627214248479, Press = -2.25693101646041
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8446.9742     -8446.9742     -8509.7688     -8509.7688      243.02155      243.02155      23676.153      23676.153      1482.5461      1482.5461    
      7000  -8447.2576     -8447.2576     -8513.7031     -8513.7031      257.15094      257.15094      23717.085      23717.085     -1907.1308     -1907.1308    
Loop time of 63.7049 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.696 hours/ns, 15.697 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    | 63.621     | 63.621     | 63.621     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015677   | 0.015677   | 0.015677   |   0.0 |  0.02
Output  | 4.5335e-05 | 4.5335e-05 | 4.5335e-05 |   0.0 |  0.00
Modify  | 0.062983   | 0.062983   | 0.062983   |   0.0 |  0.10
Other   |            | 0.005465   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214640 ave      214640 max      214640 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214640
Ave neighs/atom = 107.32
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.702030697695, Press = -37.4151532745528
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.2576     -8447.2576     -8513.7031     -8513.7031      257.15094      257.15094      23717.085      23717.085     -1907.1308     -1907.1308    
      8000  -8446.7617     -8446.7617     -8513.4688     -8513.4688      258.16368      258.16368      23687.424      23687.424      156.64724      156.64724    
Loop time of 63.4882 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.361 ns/day, 17.636 hours/ns, 15.751 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    | 63.405     | 63.405     | 63.405     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015165   | 0.015165   | 0.015165   |   0.0 |  0.02
Output  | 4.1768e-05 | 4.1768e-05 | 4.1768e-05 |   0.0 |  0.00
Modify  | 0.062397   | 0.062397   | 0.062397   |   0.0 |  0.10
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:       214490 ave      214490 max      214490 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214490
Ave neighs/atom = 107.245
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.307736220697, Press = 23.3305228061895
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8446.7617     -8446.7617     -8513.4688     -8513.4688      258.16368      258.16368      23687.424      23687.424      156.64724      156.64724    
      9000  -8445.6066     -8445.6066     -8512.5475     -8512.5475      259.06811      259.06811      23681.249      23681.249      729.13787      729.13787    
Loop time of 63.7258 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.702 hours/ns, 15.692 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    | 63.643     | 63.643     | 63.643     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015172   | 0.015172   | 0.015172   |   0.0 |  0.02
Output  | 8.6663e-05 | 8.6663e-05 | 8.6663e-05 |   0.0 |  0.00
Modify  | 0.062062   | 0.062062   | 0.062062   |   0.0 |  0.10
Other   |            | 0.005375   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215004 ave      215004 max      215004 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215004
Ave neighs/atom = 107.502
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.076297200356, Press = -16.9012410308583
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8445.6066     -8445.6066     -8512.5475     -8512.5475      259.06811      259.06811      23681.249      23681.249      729.13787      729.13787    
     10000  -8447.7922     -8447.7922     -8510.8849     -8510.8849      244.17532      244.17532      23711.28       23711.28      -1152.5334     -1152.5334    
Loop time of 63.7359 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.704 hours/ns, 15.690 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    | 63.653     | 63.653     | 63.653     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015084   | 0.015084   | 0.015084   |   0.0 |  0.02
Output  | 5.5895e-05 | 5.5895e-05 | 5.5895e-05 |   0.0 |  0.00
Modify  | 0.062008   | 0.062008   | 0.062008   |   0.0 |  0.10
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:       215078 ave      215078 max      215078 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215078
Ave neighs/atom = 107.539
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.177045372957, Press = 3.88447648096387
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.7922     -8447.7922     -8510.8849     -8510.8849      244.17532      244.17532      23711.28       23711.28      -1152.5334     -1152.5334    
     11000  -8450.2653     -8450.2653     -8513.8893     -8513.8893      246.23133      246.23133      23649.239      23649.239      2758.1436      2758.1436    
Loop time of 63.5796 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.359 ns/day, 17.661 hours/ns, 15.728 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    | 63.497     | 63.497     | 63.497     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015034   | 0.015034   | 0.015034   |   0.0 |  0.02
Output  | 3.9836e-05 | 3.9836e-05 | 3.9836e-05 |   0.0 |  0.00
Modify  | 0.062055   | 0.062055   | 0.062055   |   0.0 |  0.10
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:       214152 ave      214152 max      214152 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214152
Ave neighs/atom = 107.076
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.158254900419, Press = -1.6882935664534
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8450.2653     -8450.2653     -8513.8893     -8513.8893      246.23133      246.23133      23649.239      23649.239      2758.1436      2758.1436    
     12000  -8445.698      -8445.698      -8510.6911     -8510.6911      251.53024      251.53024      23723.548      23723.548     -1926.3981     -1926.3981    
Loop time of 63.7054 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.696 hours/ns, 15.697 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    | 63.623     | 63.623     | 63.623     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015031   | 0.015031   | 0.015031   |   0.0 |  0.02
Output  | 3.9966e-05 | 3.9966e-05 | 3.9966e-05 |   0.0 |  0.00
Modify  | 0.061977   | 0.061977   | 0.061977   |   0.0 |  0.10
Other   |            | 0.0054     |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215536 ave      215536 max      215536 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215536
Ave neighs/atom = 107.768
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 = 252.958223663261, Press = -4.35326625372413
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8445.698      -8445.698      -8510.6911     -8510.6911      251.53024      251.53024      23723.548      23723.548     -1926.3981     -1926.3981    
     13000  -8449.4297     -8449.4297     -8514.4961     -8514.4961      251.81399      251.81399      23675.176      23675.176      769.28208      769.28208    
Loop time of 63.7658 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.355 ns/day, 17.713 hours/ns, 15.682 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    | 63.683     | 63.683     | 63.683     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015218   | 0.015218   | 0.015218   |   0.0 |  0.02
Output  | 4.793e-05  | 4.793e-05  | 4.793e-05  |   0.0 |  0.00
Modify  | 0.062221   | 0.062221   | 0.062221   |   0.0 |  0.10
Other   |            | 0.005382   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214294 ave      214294 max      214294 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214294
Ave neighs/atom = 107.147
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.855268701095, Press = 0.557124114279556
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8449.4297     -8449.4297     -8514.4961     -8514.4961      251.81399      251.81399      23675.176      23675.176      769.28208      769.28208    
     14000  -8445.9903     -8445.9903     -8511.3026     -8511.3026      252.76529      252.76529      23699.549      23699.549     -267.60296     -267.60296    
Loop time of 63.8121 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.354 ns/day, 17.726 hours/ns, 15.671 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    | 63.729     | 63.729     | 63.729     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015035   | 0.015035   | 0.015035   |   0.0 |  0.02
Output  | 5.9863e-05 | 5.9863e-05 | 5.9863e-05 |   0.0 |  0.00
Modify  | 0.061983   | 0.061983   | 0.061983   |   0.0 |  0.10
Other   |            | 0.005565   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215230 ave      215230 max      215230 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215230
Ave neighs/atom = 107.615
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.659860922146, Press = -2.41340262198449
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8445.9903     -8445.9903     -8511.3026     -8511.3026      252.76529      252.76529      23699.549      23699.549     -267.60296     -267.60296    
     15000  -8446.1184     -8446.1184     -8511.8969     -8511.8969      254.56957      254.56957      23692.112      23692.112      106.21241      106.21241    
Loop time of 63.9174 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.352 ns/day, 17.755 hours/ns, 15.645 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    | 63.835     | 63.835     | 63.835     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014972   | 0.014972   | 0.014972   |   0.0 |  0.02
Output  | 2.9356e-05 | 2.9356e-05 | 2.9356e-05 |   0.0 |  0.00
Modify  | 0.061966   | 0.061966   | 0.061966   |   0.0 |  0.10
Other   |            | 0.005548   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214792 ave      214792 max      214792 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214792
Ave neighs/atom = 107.396
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.574709029484, Press = 0.391268621212906
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8446.1184     -8446.1184     -8511.8969     -8511.8969      254.56957      254.56957      23692.112      23692.112      106.21241      106.21241    
     16000  -8449.3868     -8449.3868     -8513.6088     -8513.6088      248.54597      248.54597      23685.905      23685.905      141.84764      141.84764    
Loop time of 63.7257 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.702 hours/ns, 15.692 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    | 63.643     | 63.643     | 63.643     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014971   | 0.014971   | 0.014971   |   0.0 |  0.02
Output  | 2.9085e-05 | 2.9085e-05 | 2.9085e-05 |   0.0 |  0.00
Modify  | 0.061794   | 0.061794   | 0.061794   |   0.0 |  0.10
Other   |            | 0.005476   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214872 ave      214872 max      214872 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214872
Ave neighs/atom = 107.436
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.462383324545, Press = -4.12656800994439
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8449.3868     -8449.3868     -8513.6088     -8513.6088      248.54597      248.54597      23685.905      23685.905      141.84764      141.84764    
     17000  -8446.861      -8446.861      -8512.8381     -8512.8381      255.33826      255.33826      23701.44       23701.44      -802.84274     -802.84274    
Loop time of 63.6015 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.667 hours/ns, 15.723 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    | 63.519     | 63.519     | 63.519     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014945   | 0.014945   | 0.014945   |   0.0 |  0.02
Output  | 2.9366e-05 | 2.9366e-05 | 2.9366e-05 |   0.0 |  0.00
Modify  | 0.061687   | 0.061687   | 0.061687   |   0.0 |  0.10
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:       215036 ave      215036 max      215036 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215036
Ave neighs/atom = 107.518
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.436119896361, Press = 4.591734190913
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8446.861      -8446.861      -8512.8381     -8512.8381      255.33826      255.33826      23701.44       23701.44      -802.84274     -802.84274    
     18000  -8448.7823     -8448.7823     -8514.1478     -8514.1478      252.97118      252.97118      23666.164      23666.164      1510.2507      1510.2507    
Loop time of 63.5355 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.360 ns/day, 17.649 hours/ns, 15.739 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    | 63.453     | 63.453     | 63.453     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014941   | 0.014941   | 0.014941   |   0.0 |  0.02
Output  | 2.9255e-05 | 2.9255e-05 | 2.9255e-05 |   0.0 |  0.00
Modify  | 0.061766   | 0.061766   | 0.061766   |   0.0 |  0.10
Other   |            | 0.005367   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214758 ave      214758 max      214758 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214758
Ave neighs/atom = 107.379
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.367011953532, Press = -5.84696648522201
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8448.7823     -8448.7823     -8514.1478     -8514.1478      252.97118      252.97118      23666.164      23666.164      1510.2507      1510.2507    
     19000  -8446.7635     -8446.7635     -8511.7779     -8511.7779      251.61276      251.61276      23719.319      23719.319     -1838.7067     -1838.7067    
Loop time of 63.9371 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.351 ns/day, 17.760 hours/ns, 15.640 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.855     | 63.855     | 63.855     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014957   | 0.014957   | 0.014957   |   0.0 |  0.02
Output  | 3.4054e-05 | 3.4054e-05 | 3.4054e-05 |   0.0 |  0.00
Modify  | 0.061895   | 0.061895   | 0.061895   |   0.0 |  0.10
Other   |            | 0.005467   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215294 ave      215294 max      215294 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215294
Ave neighs/atom = 107.647
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.408681023842, Press = 1.15079923012634
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8446.7635     -8446.7635     -8511.7779     -8511.7779      251.61276      251.61276      23719.319      23719.319     -1838.7067     -1838.7067    
     20000  -8449.058      -8449.058      -8514.6275     -8514.6275      253.76103      253.76103      23654.723      23654.723      2253.398       2253.398     
Loop time of 63.5901 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.359 ns/day, 17.664 hours/ns, 15.726 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.508     | 63.508     | 63.508     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015081   | 0.015081   | 0.015081   |   0.0 |  0.02
Output  | 2.9275e-05 | 2.9275e-05 | 2.9275e-05 |   0.0 |  0.00
Modify  | 0.061744   | 0.061744   | 0.061744   |   0.0 |  0.10
Other   |            | 0.005392   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214238 ave      214238 max      214238 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214238
Ave neighs/atom = 107.119
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.332058519613, Press = -1.05749967691007
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8449.058      -8449.058      -8514.6275     -8514.6275      253.76103      253.76103      23654.723      23654.723      2253.398       2253.398     
     21000  -8448.1378     -8448.1378     -8513.2479     -8513.2479      251.98306      251.98306      23708.679      23708.679     -1423.9179     -1423.9179    
Loop time of 63.7777 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.355 ns/day, 17.716 hours/ns, 15.679 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.696     | 63.696     | 63.696     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014881   | 0.014881   | 0.014881   |   0.0 |  0.02
Output  | 2.9456e-05 | 2.9456e-05 | 2.9456e-05 |   0.0 |  0.00
Modify  | 0.061755   | 0.061755   | 0.061755   |   0.0 |  0.10
Other   |            | 0.005388   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215256 ave      215256 max      215256 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215256
Ave neighs/atom = 107.628
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.459400103763, Press = -2.03366456546163
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8448.1378     -8448.1378     -8513.2479     -8513.2479      251.98306      251.98306      23708.679      23708.679     -1423.9179     -1423.9179    
     22000  -8443.7526     -8443.7526     -8509.1904     -8509.1904      253.25091      253.25091      23691.875      23691.875      611.60282      611.60282    
Loop time of 63.5401 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.360 ns/day, 17.650 hours/ns, 15.738 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.458     | 63.458     | 63.458     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01499    | 0.01499    | 0.01499    |   0.0 |  0.02
Output  | 2.9125e-05 | 2.9125e-05 | 2.9125e-05 |   0.0 |  0.00
Modify  | 0.06172    | 0.06172    | 0.06172    |   0.0 |  0.10
Other   |            | 0.005356   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214738 ave      214738 max      214738 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214738
Ave neighs/atom = 107.369
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.608164293765, Press = -0.262966286345891
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8443.7526     -8443.7526     -8509.1904     -8509.1904      253.25091      253.25091      23691.875      23691.875      611.60282      611.60282    
     23000  -8447.5899     -8447.5899     -8511.8042     -8511.8042      248.516        248.516        23695.506      23695.506     -183.00927     -183.00927    
Loop time of 63.5836 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.359 ns/day, 17.662 hours/ns, 15.727 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.502     | 63.502     | 63.502     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014969   | 0.014969   | 0.014969   |   0.0 |  0.02
Output  | 2.8974e-05 | 2.8974e-05 | 2.8974e-05 |   0.0 |  0.00
Modify  | 0.061633   | 0.061633   | 0.061633   |   0.0 |  0.10
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:       214446 ave      214446 max      214446 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214446
Ave neighs/atom = 107.223
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.69639206556, Press = -1.10726599100393
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.5899     -8447.5899     -8511.8042     -8511.8042      248.516        248.516        23695.506      23695.506     -183.00927     -183.00927    
     24000  -8450.3593     -8450.3593     -8514.4497     -8514.4497      248.03654      248.03654      23683.01       23683.01       183.8632       183.8632     
Loop time of 63.6103 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.670 hours/ns, 15.721 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.528     | 63.528     | 63.528     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014936   | 0.014936   | 0.014936   |   0.0 |  0.02
Output  | 2.9546e-05 | 2.9546e-05 | 2.9546e-05 |   0.0 |  0.00
Modify  | 0.061657   | 0.061657   | 0.061657   |   0.0 |  0.10
Other   |            | 0.005395   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214584 ave      214584 max      214584 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214584
Ave neighs/atom = 107.292
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.744937073764, Press = 0.00270004858913978
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8450.3593     -8450.3593     -8514.4497     -8514.4497      248.03654      248.03654      23683.01       23683.01       183.8632       183.8632     
     25000  -8446.5865     -8446.5865     -8512.9436     -8512.9436      256.8091       256.8091       23696.545      23696.545     -425.14159     -425.14159    
Loop time of 63.8652 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.353 ns/day, 17.740 hours/ns, 15.658 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.783     | 63.783     | 63.783     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014995   | 0.014995   | 0.014995   |   0.0 |  0.02
Output  | 2.9666e-05 | 2.9666e-05 | 2.9666e-05 |   0.0 |  0.00
Modify  | 0.061817   | 0.061817   | 0.061817   |   0.0 |  0.10
Other   |            | 0.005397   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215122 ave      215122 max      215122 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215122
Ave neighs/atom = 107.561
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.692995650834, Press = -2.80725401493913
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8446.5865     -8446.5865     -8512.9436     -8512.9436      256.8091       256.8091       23696.545      23696.545     -425.14159     -425.14159    
     26000  -8450.8736     -8450.8736     -8514.1713     -8514.1713      244.96838      244.96838      23699.126      23699.126     -901.48572     -901.48572    
Loop time of 63.7048 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.696 hours/ns, 15.697 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.623     | 63.623     | 63.623     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014956   | 0.014956   | 0.014956   |   0.0 |  0.02
Output  | 2.9847e-05 | 2.9847e-05 | 2.9847e-05 |   0.0 |  0.00
Modify  | 0.061762   | 0.061762   | 0.061762   |   0.0 |  0.10
Other   |            | 0.00536    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214914 ave      214914 max      214914 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214914
Ave neighs/atom = 107.457
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.631124465966, Press = 1.80789985153286
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8450.8736     -8450.8736     -8514.1713     -8514.1713      244.96838      244.96838      23699.126      23699.126     -901.48572     -901.48572    
     27000  -8446.3732     -8446.3732     -8511.1816     -8511.1816      250.81546      250.81546      23656.986      23656.986      2799.5619      2799.5619    
Loop time of 63.5657 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.359 ns/day, 17.657 hours/ns, 15.732 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.484     | 63.484     | 63.484     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014842   | 0.014842   | 0.014842   |   0.0 |  0.02
Output  | 2.9385e-05 | 2.9385e-05 | 2.9385e-05 |   0.0 |  0.00
Modify  | 0.061725   | 0.061725   | 0.061725   |   0.0 |  0.10
Other   |            | 0.005365   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214806 ave      214806 max      214806 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214806
Ave neighs/atom = 107.403
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.591581514707, Press = -3.02783415169399
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8446.3732     -8446.3732     -8511.1816     -8511.1816      250.81546      250.81546      23656.986      23656.986      2799.5619      2799.5619    
     28000  -8448.1407     -8448.1407     -8512.8378     -8512.8378      250.38429      250.38429      23711.38       23711.38      -1376.6188     -1376.6188    
Loop time of 63.6274 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.674 hours/ns, 15.716 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.545     | 63.545     | 63.545     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015005   | 0.015005   | 0.015005   |   0.0 |  0.02
Output  | 2.9936e-05 | 2.9936e-05 | 2.9936e-05 |   0.0 |  0.00
Modify  | 0.061718   | 0.061718   | 0.061718   |   0.0 |  0.10
Other   |            | 0.005344   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215366 ave      215366 max      215366 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215366
Ave neighs/atom = 107.683
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.638167595739, Press = -0.0567419190483358
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8448.1407     -8448.1407     -8512.8378     -8512.8378      250.38429      250.38429      23711.38       23711.38      -1376.6188     -1376.6188    
     29000  -8448.2221     -8448.2221     -8513.264      -8513.264       251.7185       251.7185       23682.924      23682.924      491.6718       491.6718     
Loop time of 63.6283 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.675 hours/ns, 15.716 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.546     | 63.546     | 63.546     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015033   | 0.015033   | 0.015033   |   0.0 |  0.02
Output  | 3.187e-05  | 3.187e-05  | 3.187e-05  |   0.0 |  0.00
Modify  | 0.061746   | 0.061746   | 0.061746   |   0.0 |  0.10
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:       214664 ave      214664 max      214664 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214664
Ave neighs/atom = 107.332
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.654652418698, Press = -0.983461652399892
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8448.2221     -8448.2221     -8513.264      -8513.264       251.7185       251.7185       23682.924      23682.924      491.6718       491.6718     
     30000  -8447.1787     -8447.1787     -8513.1211     -8513.1211      255.2039       255.2039       23699.872      23699.872     -601.05265     -601.05265    
Loop time of 63.7084 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.697 hours/ns, 15.697 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.626     | 63.626     | 63.626     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014954   | 0.014954   | 0.014954   |   0.0 |  0.02
Output  | 2.8854e-05 | 2.8854e-05 | 2.8854e-05 |   0.0 |  0.00
Modify  | 0.061774   | 0.061774   | 0.061774   |   0.0 |  0.10
Other   |            | 0.005386   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214944 ave      214944 max      214944 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214944
Ave neighs/atom = 107.472
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.611143626056, Press = -0.895461276494787
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.1787     -8447.1787     -8513.1211     -8513.1211      255.2039       255.2039       23699.872      23699.872     -601.05265     -601.05265    
     31000  -8450.9285     -8450.9285     -8513.5549     -8513.5549      242.37064      242.37064      23679.578      23679.578      604.44924      604.44924    
Loop time of 63.6665 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.357 ns/day, 17.685 hours/ns, 15.707 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.584     | 63.584     | 63.584     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014946   | 0.014946   | 0.014946   |   0.0 |  0.02
Output  | 2.9977e-05 | 2.9977e-05 | 2.9977e-05 |   0.0 |  0.00
Modify  | 0.061886   | 0.061886   | 0.061886   |   0.0 |  0.10
Other   |            | 0.005375   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214768 ave      214768 max      214768 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214768
Ave neighs/atom = 107.384
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.583522769844, Press = 0.0061269513150122
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8450.9285     -8450.9285     -8513.5549     -8513.5549      242.37064      242.37064      23679.578      23679.578      604.44924      604.44924    
     32000  -8446.8193     -8446.8193     -8512.1059     -8512.1059      252.66614      252.66614      23687.749      23687.749      444.15973      444.15973    
Loop time of 63.8273 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.354 ns/day, 17.730 hours/ns, 15.667 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.745     | 63.745     | 63.745     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014846   | 0.014846   | 0.014846   |   0.0 |  0.02
Output  | 2.67e-05   | 2.67e-05   | 2.67e-05   |   0.0 |  0.00
Modify  | 0.061755   | 0.061755   | 0.061755   |   0.0 |  0.10
Other   |            | 0.00533    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215312 ave      215312 max      215312 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215312
Ave neighs/atom = 107.656
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.583047203224, Press = -2.17099373903198
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8446.8193     -8446.8193     -8512.1059     -8512.1059      252.66614      252.66614      23687.749      23687.749      444.15973      444.15973    
     33000  -8447.97       -8447.97       -8513.4395     -8513.4395      253.37358      253.37358      23715.544      23715.544     -1793.8447     -1793.8447    
Loop time of 63.5091 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.360 ns/day, 17.641 hours/ns, 15.746 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.427     | 63.427     | 63.427     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014871   | 0.014871   | 0.014871   |   0.0 |  0.02
Output  | 2.654e-05  | 2.654e-05  | 2.654e-05  |   0.0 |  0.00
Modify  | 0.061711   | 0.061711   | 0.061711   |   0.0 |  0.10
Other   |            | 0.005241   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214638 ave      214638 max      214638 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214638
Ave neighs/atom = 107.319
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.638547853959, Press = 0.632844285501747
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.97       -8447.97       -8513.4395     -8513.4395      253.37358      253.37358      23715.544      23715.544     -1793.8447     -1793.8447    
     34000  -8444.2987     -8444.2987     -8513.0289     -8513.0289      265.99288      265.99288      23661.821      23661.821      2239.5664      2239.5664    
Loop time of 63.6606 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.357 ns/day, 17.684 hours/ns, 15.708 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.579     | 63.579     | 63.579     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014874   | 0.014874   | 0.014874   |   0.0 |  0.02
Output  | 2.8273e-05 | 2.8273e-05 | 2.8273e-05 |   0.0 |  0.00
Modify  | 0.061709   | 0.061709   | 0.061709   |   0.0 |  0.10
Other   |            | 0.005201   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214642 ave      214642 max      214642 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214642
Ave neighs/atom = 107.321
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.706858745073, Press = -1.20933688078467
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8444.2987     -8444.2987     -8513.0289     -8513.0289      265.99288      265.99288      23661.821      23661.821      2239.5664      2239.5664    
     35000  -8447.3615     -8447.3615     -8513.6646     -8513.6646      256.59984      256.59984      23719.896      23719.896     -2132.2376     -2132.2376    
Loop time of 63.6448 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.679 hours/ns, 15.712 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.563     | 63.563     | 63.563     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01489    | 0.01489    | 0.01489    |   0.0 |  0.02
Output  | 2.655e-05  | 2.655e-05  | 2.655e-05  |   0.0 |  0.00
Modify  | 0.0617     | 0.0617     | 0.0617     |   0.0 |  0.10
Other   |            | 0.005212   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215354 ave      215354 max      215354 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215354
Ave neighs/atom = 107.677
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.725599287935, Press = -1.06390387310117
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.3615     -8447.3615     -8513.6646     -8513.6646      256.59984      256.59984      23719.896      23719.896     -2132.2376     -2132.2376    
     36000  -8447.4216     -8447.4216     -8512.9723     -8512.9723      253.68774      253.68774      23670.535      23670.535      1432.3714      1432.3714    
Loop time of 63.6026 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.667 hours/ns, 15.723 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.521     | 63.521     | 63.521     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014953   | 0.014953   | 0.014953   |   0.0 |  0.02
Output  | 2.7802e-05 | 2.7802e-05 | 2.7802e-05 |   0.0 |  0.00
Modify  | 0.061699   | 0.061699   | 0.061699   |   0.0 |  0.10
Other   |            | 0.005183   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214710 ave      214710 max      214710 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214710
Ave neighs/atom = 107.355
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.748800191963, Press = 0.135562310913815
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.4216     -8447.4216     -8512.9723     -8512.9723      253.68774      253.68774      23670.535      23670.535      1432.3714      1432.3714    
     37000  -8448.4354     -8448.4354     -8514.5861     -8514.5861      256.01002      256.01002      23712.413      23712.413     -1711.124      -1711.124     
Loop time of 63.6952 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.693 hours/ns, 15.700 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.613     | 63.613     | 63.613     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014947   | 0.014947   | 0.014947   |   0.0 |  0.02
Output  | 2.7613e-05 | 2.7613e-05 | 2.7613e-05 |   0.0 |  0.00
Modify  | 0.061837   | 0.061837   | 0.061837   |   0.0 |  0.10
Other   |            | 0.005206   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214938 ave      214938 max      214938 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214938
Ave neighs/atom = 107.469
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.699512287528, Press = -2.03760545908179
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8448.4354     -8448.4354     -8514.5861     -8514.5861      256.01002      256.01002      23712.413      23712.413     -1711.124      -1711.124     
     38000  -8448.153      -8448.153      -8512.5513     -8512.5513      249.22825      249.22825      23680.97       23680.97       806.72917      806.72917    
Loop time of 63.6679 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.357 ns/day, 17.686 hours/ns, 15.706 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.586     | 63.586     | 63.586     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014898   | 0.014898   | 0.014898   |   0.0 |  0.02
Output  | 2.7622e-05 | 2.7622e-05 | 2.7622e-05 |   0.0 |  0.00
Modify  | 0.061788   | 0.061788   | 0.061788   |   0.0 |  0.10
Other   |            | 0.00522    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214758 ave      214758 max      214758 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214758
Ave neighs/atom = 107.379
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.711281153507, Press = 0.586133302803972
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8448.153      -8448.153      -8512.5513     -8512.5513      249.22825      249.22825      23680.97       23680.97       806.72917      806.72917    
     39000  -8444.6065     -8444.6065     -8511.82       -8511.82        260.12292      260.12292      23694.069      23694.069      1.753793       1.753793     
Loop time of 63.6016 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.667 hours/ns, 15.723 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.52      | 63.52      | 63.52      |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014885   | 0.014885   | 0.014885   |   0.0 |  0.02
Output  | 2.7341e-05 | 2.7341e-05 | 2.7341e-05 |   0.0 |  0.00
Modify  | 0.061704   | 0.061704   | 0.061704   |   0.0 |  0.10
Other   |            | 0.005179   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215072 ave      215072 max      215072 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215072
Ave neighs/atom = 107.536
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.69105561807, Press = -2.16017094859039
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8444.6065     -8444.6065     -8511.82       -8511.82        260.12292      260.12292      23694.069      23694.069      1.753793       1.753793     
     40000  -8447.6461     -8447.6461     -8512.6869     -8512.6869      251.71468      251.71468      23715.696      23715.696     -1573.8687     -1573.8687    
Loop time of 63.5036 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.361 ns/day, 17.640 hours/ns, 15.747 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.422     | 63.422     | 63.422     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014836   | 0.014836   | 0.014836   |   0.0 |  0.02
Output  | 2.7622e-05 | 2.7622e-05 | 2.7622e-05 |   0.0 |  0.00
Modify  | 0.061662   | 0.061662   | 0.061662   |   0.0 |  0.10
Other   |            | 0.005197   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214624 ave      214624 max      214624 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214624
Ave neighs/atom = 107.312
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.760579941318, Press = 0.446491660883144
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.6461     -8447.6461     -8512.6869     -8512.6869      251.71468      251.71468      23715.696      23715.696     -1573.8687     -1573.8687    
     41000  -8445.1401     -8445.1401     -8512.3449     -8512.3449      260.08976      260.08976      23672.746      23672.746      1505.9587      1505.9587    
Loop time of 63.5886 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.359 ns/day, 17.663 hours/ns, 15.726 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.507     | 63.507     | 63.507     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014852   | 0.014852   | 0.014852   |   0.0 |  0.02
Output  | 2.7472e-05 | 2.7472e-05 | 2.7472e-05 |   0.0 |  0.00
Modify  | 0.061677   | 0.061677   | 0.061677   |   0.0 |  0.10
Other   |            | 0.005184   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214568 ave      214568 max      214568 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214568
Ave neighs/atom = 107.284
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.786436725502, Press = -0.886600477991691
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8445.1401     -8445.1401     -8512.3449     -8512.3449      260.08976      260.08976      23672.746      23672.746      1505.9587      1505.9587    
     42000  -8448.1306     -8448.1306     -8512.722      -8512.722       249.97526      249.97526      23703.094      23703.094     -829.6222      -829.6222     
Loop time of 63.6594 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.357 ns/day, 17.683 hours/ns, 15.709 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.577     | 63.577     | 63.577     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014914   | 0.014914   | 0.014914   |   0.0 |  0.02
Output  | 3.1339e-05 | 3.1339e-05 | 3.1339e-05 |   0.0 |  0.00
Modify  | 0.061783   | 0.061783   | 0.061783   |   0.0 |  0.10
Other   |            | 0.005193   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215026 ave      215026 max      215026 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215026
Ave neighs/atom = 107.513
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.820507843525, Press = -0.531907441470996
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8448.1306     -8448.1306     -8512.722      -8512.722       249.97526      249.97526      23703.094      23703.094     -829.6222      -829.6222     
     43000  -8447.4432     -8447.4432     -8512.6385     -8512.6385      252.3126       252.3126       23685.073      23685.073      490.46564      490.46564    
Loop time of 63.4796 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.361 ns/day, 17.633 hours/ns, 15.753 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.398     | 63.398     | 63.398     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014902   | 0.014902   | 0.014902   |   0.0 |  0.02
Output  | 3.2251e-05 | 3.2251e-05 | 3.2251e-05 |   0.0 |  0.00
Modify  | 0.061789   | 0.061789   | 0.061789   |   0.0 |  0.10
Other   |            | 0.005194   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214440 ave      214440 max      214440 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214440
Ave neighs/atom = 107.22
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.826084227124, Press = -0.551639315528817
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.4432     -8447.4432     -8512.6385     -8512.6385      252.3126       252.3126       23685.073      23685.073      490.46564      490.46564    
     44000  -8444.976      -8444.976      -8512.6614     -8512.6614      261.94924      261.94924      23698.453      23698.453     -434.1253      -434.1253     
Loop time of 63.49 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.361 ns/day, 17.636 hours/ns, 15.751 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.408     | 63.408     | 63.408     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014863   | 0.014863   | 0.014863   |   0.0 |  0.02
Output  | 3.0487e-05 | 3.0487e-05 | 3.0487e-05 |   0.0 |  0.00
Modify  | 0.061804   | 0.061804   | 0.061804   |   0.0 |  0.10
Other   |            | 0.005186   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214972 ave      214972 max      214972 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214972
Ave neighs/atom = 107.486
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.841495862634, Press = -0.883175653357057
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8444.976      -8444.976      -8512.6614     -8512.6614      261.94924      261.94924      23698.453      23698.453     -434.1253      -434.1253     
     45000  -8448.4142     -8448.4142     -8512.8497     -8512.8497      249.37208      249.37208      23685.328      23685.328      368.26013      368.26013    
Loop time of 63.5606 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.359 ns/day, 17.656 hours/ns, 15.733 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.479     | 63.479     | 63.479     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014884   | 0.014884   | 0.014884   |   0.0 |  0.02
Output  | 3.0788e-05 | 3.0788e-05 | 3.0788e-05 |   0.0 |  0.00
Modify  | 0.061786   | 0.061786   | 0.061786   |   0.0 |  0.10
Other   |            | 0.00519    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214600 ave      214600 max      214600 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214600
Ave neighs/atom = 107.3
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.867708472332, Press = -0.276921317541773
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8448.4142     -8448.4142     -8512.8497     -8512.8497      249.37208      249.37208      23685.328      23685.328      368.26013      368.26013    
     46000  -8447.1372     -8447.1372     -8512.4317     -8512.4317      252.6966       252.6966       23694.06       23694.06      -116.52433     -116.52433    
Loop time of 63.5492 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.360 ns/day, 17.653 hours/ns, 15.736 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.467     | 63.467     | 63.467     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014869   | 0.014869   | 0.014869   |   0.0 |  0.02
Output  | 2.8323e-05 | 2.8323e-05 | 2.8323e-05 |   0.0 |  0.00
Modify  | 0.061748   | 0.061748   | 0.061748   |   0.0 |  0.10
Other   |            | 0.005188   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214996 ave      214996 max      214996 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214996
Ave neighs/atom = 107.498
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.877245629599, Press = -0.945876554241788
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.1372     -8447.1372     -8512.4317     -8512.4317      252.6966       252.6966       23694.06       23694.06      -116.52433     -116.52433    
     47000  -8447.6324     -8447.6324     -8513.2671     -8513.2671      254.01308      254.01308      23691.855      23691.855     -182.17792     -182.17792    
Loop time of 63.5108 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.360 ns/day, 17.642 hours/ns, 15.745 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.429     | 63.429     | 63.429     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014868   | 0.014868   | 0.014868   |   0.0 |  0.02
Output  | 2.9716e-05 | 2.9716e-05 | 2.9716e-05 |   0.0 |  0.00
Modify  | 0.061734   | 0.061734   | 0.061734   |   0.0 |  0.10
Other   |            | 0.005213   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214710 ave      214710 max      214710 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214710
Ave neighs/atom = 107.355
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.895650578745, Press = -0.651783021585728
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.6324     -8447.6324     -8513.2671     -8513.2671      254.01308      254.01308      23691.855      23691.855     -182.17792     -182.17792    
     48000  -8445.6638     -8445.6638     -8511.7247     -8511.7247      255.66243      255.66243      23674.284      23674.284      1440.5827      1440.5827    
Loop time of 63.583 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.359 ns/day, 17.662 hours/ns, 15.727 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.501     | 63.501     | 63.501     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014882   | 0.014882   | 0.014882   |   0.0 |  0.02
Output  | 3.0066e-05 | 3.0066e-05 | 3.0066e-05 |   0.0 |  0.00
Modify  | 0.061773   | 0.061773   | 0.061773   |   0.0 |  0.10
Other   |            | 0.005183   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214632 ave      214632 max      214632 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214632
Ave neighs/atom = 107.316
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.900897551165, Press = -0.626811653019942
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8445.6638     -8445.6638     -8511.7247     -8511.7247      255.66243      255.66243      23674.284      23674.284      1440.5827      1440.5827    
     49000  -8449.6413     -8449.6413     -8513.3644     -8513.3644      246.61501      246.61501      23718.956      23718.956     -2055.6963     -2055.6963    
Loop time of 63.6977 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.694 hours/ns, 15.699 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.616     | 63.616     | 63.616     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014897   | 0.014897   | 0.014897   |   0.0 |  0.02
Output  | 2.9636e-05 | 2.9636e-05 | 2.9636e-05 |   0.0 |  0.00
Modify  | 0.061724   | 0.061724   | 0.061724   |   0.0 |  0.10
Other   |            | 0.005195   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214796 ave      214796 max      214796 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214796
Ave neighs/atom = 107.398
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.842388767897, Press = -1.93550999564566
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8449.6413     -8449.6413     -8513.3644     -8513.3644      246.61501      246.61501      23718.956      23718.956     -2055.6963     -2055.6963    
     50000  -8446.8986     -8446.8986     -8511.9746     -8511.9746      251.85062      251.85062      23678.797      23678.797      967.32942      967.32942    
Loop time of 63.4365 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.362 ns/day, 17.621 hours/ns, 15.764 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.355     | 63.355     | 63.355     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014872   | 0.014872   | 0.014872   |   0.0 |  0.02
Output  | 2.9766e-05 | 2.9766e-05 | 2.9766e-05 |   0.0 |  0.00
Modify  | 0.061753   | 0.061753   | 0.061753   |   0.0 |  0.10
Other   |            | 0.005191   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214682 ave      214682 max      214682 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214682
Ave neighs/atom = 107.341
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.838986227247, Press = 1.03543099383579
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8446.8986     -8446.8986     -8511.9746     -8511.9746      251.85062      251.85062      23678.797      23678.797      967.32942      967.32942    
     51000  -8450.5065     -8450.5065     -8513.687      -8513.687       244.51507      244.51507      23681.424      23681.424      403.83864      403.83864    
Loop time of 63.5864 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.359 ns/day, 17.663 hours/ns, 15.727 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.504     | 63.504     | 63.504     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01494    | 0.01494    | 0.01494    |   0.0 |  0.02
Output  | 2.9886e-05 | 2.9886e-05 | 2.9886e-05 |   0.0 |  0.00
Modify  | 0.061805   | 0.061805   | 0.061805   |   0.0 |  0.10
Other   |            | 0.005186   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214806 ave      214806 max      214806 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214806
Ave neighs/atom = 107.403
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.7952913547, Press = -1.60813085384059
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8450.5065     -8450.5065     -8513.687      -8513.687       244.51507      244.51507      23681.424      23681.424      403.83864      403.83864    
     52000  -8448.2358     -8448.2358     -8512.2878     -8512.2878      247.88801      247.88801      23695.876      23695.876     -403.67769     -403.67769    
Loop time of 63.5485 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.360 ns/day, 17.652 hours/ns, 15.736 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.467     | 63.467     | 63.467     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014824   | 0.014824   | 0.014824   |   0.0 |  0.02
Output  | 2.9295e-05 | 2.9295e-05 | 2.9295e-05 |   0.0 |  0.00
Modify  | 0.061806   | 0.061806   | 0.061806   |   0.0 |  0.10
Other   |            | 0.005195   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214782 ave      214782 max      214782 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214782
Ave neighs/atom = 107.391
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.805385591003, Press = -0.206151357595602
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8448.2358     -8448.2358     -8512.2878     -8512.2878      247.88801      247.88801      23695.876      23695.876     -403.67769     -403.67769    
     53000  -8447.8188     -8447.8188     -8512.3033     -8512.3033      249.56181      249.56181      23686.292      23686.292      466.15008      466.15008    
Loop time of 63.4819 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.361 ns/day, 17.634 hours/ns, 15.753 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.4       | 63.4       | 63.4       |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014901   | 0.014901   | 0.014901   |   0.0 |  0.02
Output  | 3.0197e-05 | 3.0197e-05 | 3.0197e-05 |   0.0 |  0.00
Modify  | 0.061742   | 0.061742   | 0.061742   |   0.0 |  0.10
Other   |            | 0.005189   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214468 ave      214468 max      214468 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214468
Ave neighs/atom = 107.234
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.763454656028, Press = -0.751673160613782
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.8188     -8447.8188     -8512.3033     -8512.3033      249.56181      249.56181      23686.292      23686.292      466.15008      466.15008    
     54000  -8448.1929     -8448.1929     -8514.0329     -8514.0329      254.80752      254.80752      23694.926      23694.926     -489.67704     -489.67704    
Loop time of 63.6193 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.672 hours/ns, 15.718 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.537     | 63.537     | 63.537     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014925   | 0.014925   | 0.014925   |   0.0 |  0.02
Output  | 2.8954e-05 | 2.8954e-05 | 2.8954e-05 |   0.0 |  0.00
Modify  | 0.061794   | 0.061794   | 0.061794   |   0.0 |  0.10
Other   |            | 0.005196   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214860 ave      214860 max      214860 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214860
Ave neighs/atom = 107.43
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.764995486199, Press = -0.660128320658587
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8448.1929     -8448.1929     -8514.0329     -8514.0329      254.80752      254.80752      23694.926      23694.926     -489.67704     -489.67704    
     55000  -8449.4865     -8449.4865     -8513.3403     -8513.3403      247.12089      247.12089      23678.093      23678.093      751.25397      751.25397    
Loop time of 63.644 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.679 hours/ns, 15.712 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.562     | 63.562     | 63.562     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014835   | 0.014835   | 0.014835   |   0.0 |  0.02
Output  | 2.9907e-05 | 2.9907e-05 | 2.9907e-05 |   0.0 |  0.00
Modify  | 0.061764   | 0.061764   | 0.061764   |   0.0 |  0.10
Other   |            | 0.005189   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214974 ave      214974 max      214974 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214974
Ave neighs/atom = 107.487
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.740838299652, Press = -0.615423475056286
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8449.4865     -8449.4865     -8513.3403     -8513.3403      247.12089      247.12089      23678.093      23678.093      751.25397      751.25397    
     56000  -8446.6506     -8446.6506     -8512.6885     -8512.6885      255.57349      255.57349      23712.762      23712.762     -1566.9195     -1566.9195    
Loop time of 63.5852 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.359 ns/day, 17.663 hours/ns, 15.727 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.503     | 63.503     | 63.503     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014984   | 0.014984   | 0.014984   |   0.0 |  0.02
Output  | 2.8944e-05 | 2.8944e-05 | 2.8944e-05 |   0.0 |  0.00
Modify  | 0.061748   | 0.061748   | 0.061748   |   0.0 |  0.10
Other   |            | 0.005175   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214844 ave      214844 max      214844 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214844
Ave neighs/atom = 107.422
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.717876754041, Press = -1.17249789877942
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8446.6506     -8446.6506     -8512.6885     -8512.6885      255.57349      255.57349      23712.762      23712.762     -1566.9195     -1566.9195    
     57000  -8448.9843     -8448.9843     -8511.6712     -8511.6712      242.6048       242.6048       23677.342      23677.342      936.83795      936.83795    
Loop time of 63.6469 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.357 ns/day, 17.680 hours/ns, 15.712 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.565     | 63.565     | 63.565     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014815   | 0.014815   | 0.014815   |   0.0 |  0.02
Output  | 3.0748e-05 | 3.0748e-05 | 3.0748e-05 |   0.0 |  0.00
Modify  | 0.061848   | 0.061848   | 0.061848   |   0.0 |  0.10
Other   |            | 0.005212   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214564 ave      214564 max      214564 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214564
Ave neighs/atom = 107.282
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.708613279888, Press = 0.816626443396215
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8448.9843     -8448.9843     -8511.6712     -8511.6712      242.6048       242.6048       23677.342      23677.342      936.83795      936.83795    
     58000  -8446.845      -8446.845      -8511.2729     -8511.2729      249.34252      249.34252      23671.592      23671.592      1548.2515      1548.2515    
Loop time of 63.5532 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.359 ns/day, 17.654 hours/ns, 15.735 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.471     | 63.471     | 63.471     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01482    | 0.01482    | 0.01482    |   0.0 |  0.02
Output  | 3.1028e-05 | 3.1028e-05 | 3.1028e-05 |   0.0 |  0.00
Modify  | 0.061761   | 0.061761   | 0.061761   |   0.0 |  0.10
Other   |            | 0.00519    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214622 ave      214622 max      214622 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214622
Ave neighs/atom = 107.311
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.709791278837, Press = -1.84953347655846
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8446.845      -8446.845      -8511.2729     -8511.2729      249.34252      249.34252      23671.592      23671.592      1548.2515      1548.2515    
     59000  -8447.4969     -8447.4969     -8513.9138     -8513.9138      257.04043      257.04043      23714.192      23714.192     -1882.2805     -1882.2805    
Loop time of 63.6058 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.668 hours/ns, 15.722 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.524     | 63.524     | 63.524     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014862   | 0.014862   | 0.014862   |   0.0 |  0.02
Output  | 3.0959e-05 | 3.0959e-05 | 3.0959e-05 |   0.0 |  0.00
Modify  | 0.061719   | 0.061719   | 0.061719   |   0.0 |  0.10
Other   |            | 0.005201   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214962 ave      214962 max      214962 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214962
Ave neighs/atom = 107.481
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.675075112613, Press = -0.0338851330801056
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.4969     -8447.4969     -8513.9138     -8513.9138      257.04043      257.04043      23714.192      23714.192     -1882.2805     -1882.2805    
     60000  -8446.39       -8446.39       -8512.5955     -8512.5955      256.22206      256.22206      23668.403      23668.403      1586.4199      1586.4199    
Loop time of 63.5829 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.359 ns/day, 17.662 hours/ns, 15.727 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.501     | 63.501     | 63.501     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014864   | 0.014864   | 0.014864   |   0.0 |  0.02
Output  | 3.0638e-05 | 3.0638e-05 | 3.0638e-05 |   0.0 |  0.00
Modify  | 0.061801   | 0.061801   | 0.061801   |   0.0 |  0.10
Other   |            | 0.00521    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214614 ave      214614 max      214614 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214614
Ave neighs/atom = 107.307
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.66074864398, Press = -0.668209637242859
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8446.39       -8446.39       -8512.5955     -8512.5955      256.22206      256.22206      23668.403      23668.403      1586.4199      1586.4199    
     61000  -8447.9341     -8447.9341     -8512.9579     -8512.9579      251.64879      251.64879      23716.041      23716.041     -1851.5395     -1851.5395    
Loop time of 63.5776 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.359 ns/day, 17.660 hours/ns, 15.729 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.496     | 63.496     | 63.496     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014883   | 0.014883   | 0.014883   |   0.0 |  0.02
Output  | 3.178e-05  | 3.178e-05  | 3.178e-05  |   0.0 |  0.00
Modify  | 0.061787   | 0.061787   | 0.061787   |   0.0 |  0.10
Other   |            | 0.005218   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215070 ave      215070 max      215070 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215070
Ave neighs/atom = 107.535
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.648713935023, Press = -0.770075299948147
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.9341     -8447.9341     -8512.9579     -8512.9579      251.64879      251.64879      23716.041      23716.041     -1851.5395     -1851.5395    
     62000  -8445.924      -8445.924      -8512.8221     -8512.8221      258.90248      258.90248      23656.933      23656.933      2392.5061      2392.5061    
Loop time of 63.5251 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.360 ns/day, 17.646 hours/ns, 15.742 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.443     | 63.443     | 63.443     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014861   | 0.014861   | 0.014861   |   0.0 |  0.02
Output  | 3.2661e-05 | 3.2661e-05 | 3.2661e-05 |   0.0 |  0.00
Modify  | 0.061777   | 0.061777   | 0.061777   |   0.0 |  0.10
Other   |            | 0.005196   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214614 ave      214614 max      214614 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214614
Ave neighs/atom = 107.307
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.661659146172, Press = 0.162118793855152
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8445.924      -8445.924      -8512.8221     -8512.8221      258.90248      258.90248      23656.933      23656.933      2392.5061      2392.5061    
     63000  -8447.6276     -8447.6276     -8510.4978     -8510.4978      243.31405      243.31405      23722.604      23722.604     -1983.8301     -1983.8301    
Loop time of 63.6928 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.357 ns/day, 17.692 hours/ns, 15.700 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.611     | 63.611     | 63.611     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01501    | 0.01501    | 0.01501    |   0.0 |  0.02
Output  | 4.779e-05  | 4.779e-05  | 4.779e-05  |   0.0 |  0.00
Modify  | 0.061917   | 0.061917   | 0.061917   |   0.0 |  0.10
Other   |            | 0.005225   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215122 ave      215122 max      215122 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215122
Ave neighs/atom = 107.561
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.667375806375, Press = -1.78226183440846
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.6276     -8447.6276     -8510.4978     -8510.4978      243.31405      243.31405      23722.604      23722.604     -1983.8301     -1983.8301    
     64000  -8442.2064     -8442.2064     -8510.3383     -8510.3383      263.67727      263.67727      23693.722      23693.722      390.41313      390.41313    
Loop time of 63.5305 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.360 ns/day, 17.647 hours/ns, 15.740 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.448     | 63.448     | 63.448     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015115   | 0.015115   | 0.015115   |   0.0 |  0.02
Output  | 3.3322e-05 | 3.3322e-05 | 3.3322e-05 |   0.0 |  0.00
Modify  | 0.062277   | 0.062277   | 0.062277   |   0.0 |  0.10
Other   |            | 0.005166   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214254 ave      214254 max      214254 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214254
Ave neighs/atom = 107.127
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 = 252.721356324556, Press = 0.175738761723542
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8442.2064     -8442.2064     -8510.3383     -8510.3383      263.67727      263.67727      23693.722      23693.722      390.41313      390.41313    
     65000  -8448.3914     -8448.3914     -8513.4004     -8513.4004      251.59152      251.59152      23689.814      23689.814      47.616077      47.616077    
Loop time of 63.5793 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.359 ns/day, 17.661 hours/ns, 15.728 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.497     | 63.497     | 63.497     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015028   | 0.015028   | 0.015028   |   0.0 |  0.02
Output  | 3.1409e-05 | 3.1409e-05 | 3.1409e-05 |   0.0 |  0.00
Modify  | 0.062007   | 0.062007   | 0.062007   |   0.0 |  0.10
Other   |            | 0.005191   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214618 ave      214618 max      214618 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214618
Ave neighs/atom = 107.309
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.731049390045, Press = -0.851809352160783
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8448.3914     -8448.3914     -8513.4004     -8513.4004      251.59152      251.59152      23689.814      23689.814      47.616077      47.616077    
     66000  -8447.8535     -8447.8535     -8513.9405     -8513.9405      255.76376      255.76376      23710.469      23710.469     -1503.6671     -1503.6671    
Loop time of 63.7944 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.354 ns/day, 17.721 hours/ns, 15.675 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.712     | 63.712     | 63.712     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014967   | 0.014967   | 0.014967   |   0.0 |  0.02
Output  | 3.0938e-05 | 3.0938e-05 | 3.0938e-05 |   0.0 |  0.00
Modify  | 0.06194    | 0.06194    | 0.06194    |   0.0 |  0.10
Other   |            | 0.005172   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215190 ave      215190 max      215190 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215190
Ave neighs/atom = 107.595
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.731281762338, Press = -0.0559606570232973
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.8535     -8447.8535     -8513.9405     -8513.9405      255.76376      255.76376      23710.469      23710.469     -1503.6671     -1503.6671    
     67000  -8449.9409     -8449.9409     -8513.13       -8513.13        244.54843      244.54843      23646.973      23646.973      3057.8975      3057.8975    
Loop time of 63.6439 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.679 hours/ns, 15.712 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.562     | 63.562     | 63.562     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014834   | 0.014834   | 0.014834   |   0.0 |  0.02
Output  | 3.1319e-05 | 3.1319e-05 | 3.1319e-05 |   0.0 |  0.00
Modify  | 0.061744   | 0.061744   | 0.061744   |   0.0 |  0.10
Other   |            | 0.005186   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214794 ave      214794 max      214794 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214794
Ave neighs/atom = 107.397
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.707926035112, Press = -0.66029011055705
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8449.9409     -8449.9409     -8513.13       -8513.13        244.54843      244.54843      23646.973      23646.973      3057.8975      3057.8975    
     68000  -8447.856      -8447.856      -8512.105      -8512.105       248.65032      248.65032      23754.191      23754.191     -4358.1906     -4358.1906    
Loop time of 63.7243 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.701 hours/ns, 15.693 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.642     | 63.642     | 63.642     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014871   | 0.014871   | 0.014871   |   0.0 |  0.02
Output  | 3.0588e-05 | 3.0588e-05 | 3.0588e-05 |   0.0 |  0.00
Modify  | 0.061884   | 0.061884   | 0.061884   |   0.0 |  0.10
Other   |            | 0.005181   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215354 ave      215354 max      215354 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215354
Ave neighs/atom = 107.677
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.732660724213, Press = -1.05010271651924
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.856      -8447.856      -8512.105      -8512.105       248.65032      248.65032      23754.191      23754.191     -4358.1906     -4358.1906    
     69000  -8443.6896     -8443.6896     -8510.5181     -8510.5181      258.63313      258.63313      23674.286      23674.286      1691.0578      1691.0578    
Loop time of 63.625 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.674 hours/ns, 15.717 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.543     | 63.543     | 63.543     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014896   | 0.014896   | 0.014896   |   0.0 |  0.02
Output  | 3.0768e-05 | 3.0768e-05 | 3.0768e-05 |   0.0 |  0.00
Modify  | 0.061799   | 0.061799   | 0.061799   |   0.0 |  0.10
Other   |            | 0.005162   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       213750 ave      213750 max      213750 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 213750
Ave neighs/atom = 106.875
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.763115725244, Press = 0.287075774405726
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8443.6896     -8443.6896     -8510.5181     -8510.5181      258.63313      258.63313      23674.286      23674.286      1691.0578      1691.0578    
     70000  -8447.5542     -8447.5542     -8512.3356     -8512.3356      250.71085      250.71085      23695.689      23695.689     -301.45953     -301.45953    
Loop time of 63.8389 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.353 ns/day, 17.733 hours/ns, 15.664 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.757     | 63.757     | 63.757     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014878   | 0.014878   | 0.014878   |   0.0 |  0.02
Output  | 3.1309e-05 | 3.1309e-05 | 3.1309e-05 |   0.0 |  0.00
Modify  | 0.061874   | 0.061874   | 0.061874   |   0.0 |  0.10
Other   |            | 0.00518    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214848 ave      214848 max      214848 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214848
Ave neighs/atom = 107.424
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.778577703807, Press = -0.727638370805604
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.5542     -8447.5542     -8512.3356     -8512.3356      250.71085      250.71085      23695.689      23695.689     -301.45953     -301.45953    
     71000  -8445.7022     -8445.7022     -8512.158      -8512.158       257.19111      257.19111      23694.097      23694.097     -93.999104     -93.999104    
Loop time of 63.7206 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.700 hours/ns, 15.694 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.639     | 63.639     | 63.639     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014887   | 0.014887   | 0.014887   |   0.0 |  0.02
Output  | 2.7863e-05 | 2.7863e-05 | 2.7863e-05 |   0.0 |  0.00
Modify  | 0.061913   | 0.061913   | 0.061913   |   0.0 |  0.10
Other   |            | 0.005186   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214632 ave      214632 max      214632 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214632
Ave neighs/atom = 107.316
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.78829657431, Press = -0.173520504673195
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8445.7022     -8445.7022     -8512.158      -8512.158       257.19111      257.19111      23694.097      23694.097     -93.999104     -93.999104    
     72000  -8448.4606     -8448.4606     -8513.3756     -8513.3756      251.22753      251.22753      23682.615      23682.615      456.02351      456.02351    
Loop time of 63.7155 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.699 hours/ns, 15.695 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.634     | 63.634     | 63.634     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014951   | 0.014951   | 0.014951   |   0.0 |  0.02
Output  | 2.8995e-05 | 2.8995e-05 | 2.8995e-05 |   0.0 |  0.00
Modify  | 0.061826   | 0.061826   | 0.061826   |   0.0 |  0.10
Other   |            | 0.005182   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214524 ave      214524 max      214524 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214524
Ave neighs/atom = 107.262
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.761355132577, Press = -0.52087116709306
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8448.4606     -8448.4606     -8513.3756     -8513.3756      251.22753      251.22753      23682.615      23682.615      456.02351      456.02351    
     73000  -8446.9831     -8446.9831     -8511.6068     -8511.6068      250.10016      250.10016      23701.246      23701.246     -579.78234     -579.78234    
Loop time of 63.6409 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.678 hours/ns, 15.713 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.559     | 63.559     | 63.559     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01496    | 0.01496    | 0.01496    |   0.0 |  0.02
Output  | 3.0057e-05 | 3.0057e-05 | 3.0057e-05 |   0.0 |  0.00
Modify  | 0.061869   | 0.061869   | 0.061869   |   0.0 |  0.10
Other   |            | 0.00517    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215024 ave      215024 max      215024 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215024
Ave neighs/atom = 107.512
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.751536935533, Press = -0.306677479081676
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8446.9831     -8446.9831     -8511.6068     -8511.6068      250.10016      250.10016      23701.246      23701.246     -579.78234     -579.78234    
     74000  -8447.7721     -8447.7721     -8512.0228     -8512.0228      248.6567       248.6567       23681.291      23681.291      802.96433      802.96433    
Loop time of 63.6588 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.357 ns/day, 17.683 hours/ns, 15.709 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.577     | 63.577     | 63.577     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014955   | 0.014955   | 0.014955   |   0.0 |  0.02
Output  | 3.168e-05  | 3.168e-05  | 3.168e-05  |   0.0 |  0.00
Modify  | 0.061858   | 0.061858   | 0.061858   |   0.0 |  0.10
Other   |            | 0.005181   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214564 ave      214564 max      214564 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214564
Ave neighs/atom = 107.282
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.750884860041, Press = -0.418694762626414
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.7721     -8447.7721     -8512.0228     -8512.0228      248.6567       248.6567       23681.291      23681.291      802.96433      802.96433    
     75000  -8442.3948     -8442.3948     -8510.1194     -8510.1194      262.10118      262.10118      23713.768      23713.768     -1026.6447     -1026.6447    
Loop time of 63.6257 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.674 hours/ns, 15.717 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.544     | 63.544     | 63.544     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014883   | 0.014883   | 0.014883   |   0.0 |  0.02
Output  | 3.0187e-05 | 3.0187e-05 | 3.0187e-05 |   0.0 |  0.00
Modify  | 0.061878   | 0.061878   | 0.061878   |   0.0 |  0.10
Other   |            | 0.005177   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214782 ave      214782 max      214782 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214782
Ave neighs/atom = 107.391
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.776555125571, Press = -0.911773213143422
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8442.3948     -8442.3948     -8510.1194     -8510.1194      262.10118      262.10118      23713.768      23713.768     -1026.6447     -1026.6447    
     76000  -8447.555      -8447.555      -8512.0795     -8512.0795      249.71642      249.71642      23685.167      23685.167      441.72215      441.72215    
Loop time of 63.6944 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.693 hours/ns, 15.700 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.612     | 63.612     | 63.612     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014943   | 0.014943   | 0.014943   |   0.0 |  0.02
Output  | 3.0788e-05 | 3.0788e-05 | 3.0788e-05 |   0.0 |  0.00
Modify  | 0.061871   | 0.061871   | 0.061871   |   0.0 |  0.10
Other   |            | 0.005193   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214324 ave      214324 max      214324 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214324
Ave neighs/atom = 107.162
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.807559071807, Press = 0.574045988199093
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.555      -8447.555      -8512.0795     -8512.0795      249.71642      249.71642      23685.167      23685.167      441.72215      441.72215    
     77000  -8445.6165     -8445.6165     -8511.2476     -8511.2476      253.99891      253.99891      23679.205      23679.205      1165.2921      1165.2921    
Loop time of 63.7037 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.695 hours/ns, 15.698 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.622     | 63.622     | 63.622     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014863   | 0.014863   | 0.014863   |   0.0 |  0.02
Output  | 2.9826e-05 | 2.9826e-05 | 2.9826e-05 |   0.0 |  0.00
Modify  | 0.061855   | 0.061855   | 0.061855   |   0.0 |  0.10
Other   |            | 0.005178   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214862 ave      214862 max      214862 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214862
Ave neighs/atom = 107.431
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.829534414201, Press = -1.22809451222295
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8445.6165     -8445.6165     -8511.2476     -8511.2476      253.99891      253.99891      23679.205      23679.205      1165.2921      1165.2921    
     78000  -8448.1147     -8448.1147     -8512.1463     -8512.1463      247.80891      247.80891      23711.102      23711.102     -1347.2676     -1347.2676    
Loop time of 63.7109 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.697 hours/ns, 15.696 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.629     | 63.629     | 63.629     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014943   | 0.014943   | 0.014943   |   0.0 |  0.02
Output  | 3.1059e-05 | 3.1059e-05 | 3.1059e-05 |   0.0 |  0.00
Modify  | 0.061813   | 0.061813   | 0.061813   |   0.0 |  0.10
Other   |            | 0.005176   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214858 ave      214858 max      214858 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214858
Ave neighs/atom = 107.429
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.832012675685, Press = -0.129783883553479
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8448.1147     -8448.1147     -8512.1463     -8512.1463      247.80891      247.80891      23711.102      23711.102     -1347.2676     -1347.2676    
     79000  -8447.3994     -8447.3994     -8512.8195     -8512.8195      253.18225      253.18225      23683.741      23683.741      545.9116       545.9116     
Loop time of 63.6126 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.670 hours/ns, 15.720 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.531     | 63.531     | 63.531     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014919   | 0.014919   | 0.014919   |   0.0 |  0.02
Output  | 3.0307e-05 | 3.0307e-05 | 3.0307e-05 |   0.0 |  0.00
Modify  | 0.061903   | 0.061903   | 0.061903   |   0.0 |  0.10
Other   |            | 0.005161   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214460 ave      214460 max      214460 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214460
Ave neighs/atom = 107.23
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.831700231293, Press = -0.429060667020815
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.3994     -8447.3994     -8512.8195     -8512.8195      253.18225      253.18225      23683.741      23683.741      545.9116       545.9116     
     80000  -8447.0658     -8447.0658     -8511.2931     -8511.2931      248.56628      248.56628      23692.04       23692.04       179.28221      179.28221    
Loop time of 63.7003 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.695 hours/ns, 15.699 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.618     | 63.618     | 63.618     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014885   | 0.014885   | 0.014885   |   0.0 |  0.02
Output  | 3.0968e-05 | 3.0968e-05 | 3.0968e-05 |   0.0 |  0.00
Modify  | 0.061861   | 0.061861   | 0.061861   |   0.0 |  0.10
Other   |            | 0.005173   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215002 ave      215002 max      215002 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215002
Ave neighs/atom = 107.501
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.804752022511, Press = -0.448972749147447
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.0658     -8447.0658     -8511.2931     -8511.2931      248.56628      248.56628      23692.04       23692.04       179.28221      179.28221    
     81000  -8449.7742     -8449.7742     -8514.0686     -8514.0686      248.82581      248.82581      23690.719      23690.719     -277.60179     -277.60179    
Loop time of 63.7392 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.705 hours/ns, 15.689 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.657     | 63.657     | 63.657     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01493    | 0.01493    | 0.01493    |   0.0 |  0.02
Output  | 3.0157e-05 | 3.0157e-05 | 3.0157e-05 |   0.0 |  0.00
Modify  | 0.06187    | 0.06187    | 0.06187    |   0.0 |  0.10
Other   |            | 0.005152   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214794 ave      214794 max      214794 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214794
Ave neighs/atom = 107.397
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.80170645527, Press = -0.565048762848761
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8449.7742     -8449.7742     -8514.0686     -8514.0686      248.82581      248.82581      23690.719      23690.719     -277.60179     -277.60179    
     82000  -8446.5085     -8446.5085     -8511.818      -8511.818       252.75452      252.75452      23687.157      23687.157      496.46395      496.46395    
Loop time of 63.7607 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.355 ns/day, 17.711 hours/ns, 15.684 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.679     | 63.679     | 63.679     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014894   | 0.014894   | 0.014894   |   0.0 |  0.02
Output  | 3.0668e-05 | 3.0668e-05 | 3.0668e-05 |   0.0 |  0.00
Modify  | 0.061893   | 0.061893   | 0.061893   |   0.0 |  0.10
Other   |            | 0.005177   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215158 ave      215158 max      215158 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215158
Ave neighs/atom = 107.579
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.784683546263, Press = -0.0561252880103952
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8446.5085     -8446.5085     -8511.818      -8511.818       252.75452      252.75452      23687.157      23687.157      496.46395      496.46395    
     83000  -8446.0895     -8446.0895     -8511.373      -8511.373       252.6537       252.6537       23692.329      23692.329      248.44993      248.44993    
Loop time of 63.5901 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.359 ns/day, 17.664 hours/ns, 15.726 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.508     | 63.508     | 63.508     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014909   | 0.014909   | 0.014909   |   0.0 |  0.02
Output  | 3.0126e-05 | 3.0126e-05 | 3.0126e-05 |   0.0 |  0.00
Modify  | 0.061895   | 0.061895   | 0.061895   |   0.0 |  0.10
Other   |            | 0.005171   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214880 ave      214880 max      214880 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214880
Ave neighs/atom = 107.44
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.7694940591, Press = -1.08088112735709
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8446.0895     -8446.0895     -8511.373      -8511.373       252.6537       252.6537       23692.329      23692.329      248.44993      248.44993    
     84000  -8447.5968     -8447.5968     -8512.4269     -8512.4269      250.89922      250.89922      23710.089      23710.089     -1227.621      -1227.621     
Loop time of 63.7233 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.701 hours/ns, 15.693 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.641     | 63.641     | 63.641     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014869   | 0.014869   | 0.014869   |   0.0 |  0.02
Output  | 3.0929e-05 | 3.0929e-05 | 3.0929e-05 |   0.0 |  0.00
Modify  | 0.061888   | 0.061888   | 0.061888   |   0.0 |  0.10
Other   |            | 0.005177   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214850 ave      214850 max      214850 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214850
Ave neighs/atom = 107.425
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.776096788611, Press = 0.175827485315579
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.5968     -8447.5968     -8512.4269     -8512.4269      250.89922      250.89922      23710.089      23710.089     -1227.621      -1227.621     
     85000  -8446.0248     -8446.0248     -8511.9895     -8511.9895      255.29038      255.29038      23667.64       23667.64       2000.191       2000.191     
Loop time of 63.6955 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.693 hours/ns, 15.700 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.614     | 63.614     | 63.614     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014903   | 0.014903   | 0.014903   |   0.0 |  0.02
Output  | 3.0748e-05 | 3.0748e-05 | 3.0748e-05 |   0.0 |  0.00
Modify  | 0.061793   | 0.061793   | 0.061793   |   0.0 |  0.10
Other   |            | 0.005162   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214736 ave      214736 max      214736 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214736
Ave neighs/atom = 107.368
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.771611899378, Press = -0.775427590227592
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8446.0248     -8446.0248     -8511.9895     -8511.9895      255.29038      255.29038      23667.64       23667.64       2000.191       2000.191     
     86000  -8449.015      -8449.015      -8512.4315     -8512.4315      245.42806      245.42806      23719.178      23719.178     -2027.7827     -2027.7827    
Loop time of 63.7404 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.355 ns/day, 17.706 hours/ns, 15.689 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.659     | 63.659     | 63.659     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014902   | 0.014902   | 0.014902   |   0.0 |  0.02
Output  | 2.9536e-05 | 2.9536e-05 | 2.9536e-05 |   0.0 |  0.00
Modify  | 0.061773   | 0.061773   | 0.061773   |   0.0 |  0.10
Other   |            | 0.005161   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215152 ave      215152 max      215152 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215152
Ave neighs/atom = 107.576
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.75557745552, Press = -0.433799139427059
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8449.015      -8449.015      -8512.4315     -8512.4315      245.42806      245.42806      23719.178      23719.178     -2027.7827     -2027.7827    
     87000  -8447.8618     -8447.8618     -8514.2594     -8514.2594      256.96564      256.96564      23667.141      23667.141      1534.4532      1534.4532    
Loop time of 63.7471 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.355 ns/day, 17.708 hours/ns, 15.687 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.665     | 63.665     | 63.665     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014889   | 0.014889   | 0.014889   |   0.0 |  0.02
Output  | 2.7191e-05 | 2.7191e-05 | 2.7191e-05 |   0.0 |  0.00
Modify  | 0.06171    | 0.06171    | 0.06171    |   0.0 |  0.10
Other   |            | 0.005162   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214156 ave      214156 max      214156 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214156
Ave neighs/atom = 107.078
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.769236074629, Press = -0.185047313295143
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.8618     -8447.8618     -8514.2594     -8514.2594      256.96564      256.96564      23667.141      23667.141      1534.4532      1534.4532    
     88000  -8445.065      -8445.065      -8511.7058     -8511.7058      257.90709      257.90709      23717.718      23717.718     -1628.5265     -1628.5265    
Loop time of 63.6617 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.357 ns/day, 17.684 hours/ns, 15.708 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.58      | 63.58      | 63.58      |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014858   | 0.014858   | 0.014858   |   0.0 |  0.02
Output  | 2.8223e-05 | 2.8223e-05 | 2.8223e-05 |   0.0 |  0.00
Modify  | 0.061726   | 0.061726   | 0.061726   |   0.0 |  0.10
Other   |            | 0.005156   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215210 ave      215210 max      215210 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215210
Ave neighs/atom = 107.605
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.783426920584, Press = -0.697012968798741
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8445.065      -8445.065      -8511.7058     -8511.7058      257.90709      257.90709      23717.718      23717.718     -1628.5265     -1628.5265    
     89000  -8447.5517     -8447.5517     -8511.7906     -8511.7906      248.6114       248.6114       23670.012      23670.012      1731.4074      1731.4074    
Loop time of 63.5596 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.359 ns/day, 17.655 hours/ns, 15.733 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.478     | 63.478     | 63.478     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014975   | 0.014975   | 0.014975   |   0.0 |  0.02
Output  | 2.7371e-05 | 2.7371e-05 | 2.7371e-05 |   0.0 |  0.00
Modify  | 0.06169    | 0.06169    | 0.06169    |   0.0 |  0.10
Other   |            | 0.005163   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214400 ave      214400 max      214400 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214400
Ave neighs/atom = 107.2
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.794604848974, Press = 0.0562612858232093
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.5517     -8447.5517     -8511.7906     -8511.7906      248.6114       248.6114       23670.012      23670.012      1731.4074      1731.4074    
     90000  -8444.8784     -8444.8784     -8512.2519     -8512.2519      260.74228      260.74228      23714.766      23714.766     -1409.4779     -1409.4779    
Loop time of 63.7354 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.704 hours/ns, 15.690 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.654     | 63.654     | 63.654     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014875   | 0.014875   | 0.014875   |   0.0 |  0.02
Output  | 2.7482e-05 | 2.7482e-05 | 2.7482e-05 |   0.0 |  0.00
Modify  | 0.0618     | 0.0618     | 0.0618     |   0.0 |  0.10
Other   |            | 0.005172   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215386 ave      215386 max      215386 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215386
Ave neighs/atom = 107.693
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.827791528345, Press = -1.2326211016029
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8444.8784     -8444.8784     -8512.2519     -8512.2519      260.74228      260.74228      23714.766      23714.766     -1409.4779     -1409.4779    
     91000  -8448.3748     -8448.3748     -8512.2745     -8512.2745      247.29867      247.29867      23690.338      23690.338      48.063613      48.063613    
Loop time of 63.5966 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.359 ns/day, 17.666 hours/ns, 15.724 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.515     | 63.515     | 63.515     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014971   | 0.014971   | 0.014971   |   0.0 |  0.02
Output  | 2.7693e-05 | 2.7693e-05 | 2.7693e-05 |   0.0 |  0.00
Modify  | 0.061698   | 0.061698   | 0.061698   |   0.0 |  0.10
Other   |            | 0.005158   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214408 ave      214408 max      214408 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214408
Ave neighs/atom = 107.204
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.847841908048, Press = 0.658780496224474
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8448.3748     -8448.3748     -8512.2745     -8512.2745      247.29867      247.29867      23690.338      23690.338      48.063613      48.063613    
     92000  -8446.6499     -8446.6499     -8512.8529     -8512.8529      256.21232      256.21232      23678.294      23678.294      948.58433      948.58433    
Loop time of 63.7083 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.697 hours/ns, 15.697 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.627     | 63.627     | 63.627     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014847   | 0.014847   | 0.014847   |   0.0 |  0.02
Output  | 2.6911e-05 | 2.6911e-05 | 2.6911e-05 |   0.0 |  0.00
Modify  | 0.061674   | 0.061674   | 0.061674   |   0.0 |  0.10
Other   |            | 0.005165   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214738 ave      214738 max      214738 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214738
Ave neighs/atom = 107.369
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.862305316796, Press = -0.936951730266368
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8446.6499     -8446.6499     -8512.8529     -8512.8529      256.21232      256.21232      23678.294      23678.294      948.58433      948.58433    
     93000  -8448.1746     -8448.1746     -8513.3729     -8513.3729      252.32396      252.32396      23696.353      23696.353     -508.1985      -508.1985     
Loop time of 63.8571 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.353 ns/day, 17.738 hours/ns, 15.660 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.775     | 63.775     | 63.775     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014937   | 0.014937   | 0.014937   |   0.0 |  0.02
Output  | 2.7141e-05 | 2.7141e-05 | 2.7141e-05 |   0.0 |  0.00
Modify  | 0.06176    | 0.06176    | 0.06176    |   0.0 |  0.10
Other   |            | 0.005156   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215048 ave      215048 max      215048 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215048
Ave neighs/atom = 107.524
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.860549784375, Press = -0.00865985366383796
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8448.1746     -8448.1746     -8513.3729     -8513.3729      252.32396      252.32396      23696.353      23696.353     -508.1985      -508.1985     
     94000  -8445.8146     -8445.8146     -8512.2041     -8512.2041      256.93442      256.93442      23679.699      23679.699      931.03043      931.03043    
Loop time of 63.8042 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.354 ns/day, 17.723 hours/ns, 15.673 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.722     | 63.722     | 63.722     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014872   | 0.014872   | 0.014872   |   0.0 |  0.02
Output  | 2.8063e-05 | 2.8063e-05 | 2.8063e-05 |   0.0 |  0.00
Modify  | 0.061694   | 0.061694   | 0.061694   |   0.0 |  0.10
Other   |            | 0.005163   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214742 ave      214742 max      214742 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214742
Ave neighs/atom = 107.371
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.853919573208, Press = -0.80851974917493
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8445.8146     -8445.8146     -8512.2041     -8512.2041      256.93442      256.93442      23679.699      23679.699      931.03043      931.03043    
     95000  -8449.6374     -8449.6374     -8513.8503     -8513.8503      248.51067      248.51067      23715.229      23715.229     -1971.9587     -1971.9587    
Loop time of 63.6527 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.357 ns/day, 17.681 hours/ns, 15.710 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.571     | 63.571     | 63.571     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01486    | 0.01486    | 0.01486    |   0.0 |  0.02
Output  | 2.7281e-05 | 2.7281e-05 | 2.7281e-05 |   0.0 |  0.00
Modify  | 0.061717   | 0.061717   | 0.061717   |   0.0 |  0.10
Other   |            | 0.005166   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214792 ave      214792 max      214792 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214792
Ave neighs/atom = 107.396
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.846844680126, Press = -0.0628368032070994
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8449.6374     -8449.6374     -8513.8503     -8513.8503      248.51067      248.51067      23715.229      23715.229     -1971.9587     -1971.9587    
     96000  -8447.2531     -8447.2531     -8513.8848     -8513.8848      257.87134      257.87134      23646.19       23646.19       3117.5229      3117.5229    
Loop time of 63.6421 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.678 hours/ns, 15.713 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.56      | 63.56      | 63.56      |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014921   | 0.014921   | 0.014921   |   0.0 |  0.02
Output  | 2.7102e-05 | 2.7102e-05 | 2.7102e-05 |   0.0 |  0.00
Modify  | 0.061702   | 0.061702   | 0.061702   |   0.0 |  0.10
Other   |            | 0.00516    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214374 ave      214374 max      214374 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214374
Ave neighs/atom = 107.187
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.842207084371, Press = -0.469105326902548
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.2531     -8447.2531     -8513.8848     -8513.8848      257.87134      257.87134      23646.19       23646.19       3117.5229      3117.5229    
     97000  -8449.247      -8449.247      -8512.3081     -8512.3081      244.05308      244.05308      23725.506      23725.506     -2475.284      -2475.284     
Loop time of 63.625 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.674 hours/ns, 15.717 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.543     | 63.543     | 63.543     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014837   | 0.014837   | 0.014837   |   0.0 |  0.02
Output  | 2.7351e-05 | 2.7351e-05 | 2.7351e-05 |   0.0 |  0.00
Modify  | 0.061708   | 0.061708   | 0.061708   |   0.0 |  0.10
Other   |            | 0.005174   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215564 ave      215564 max      215564 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215564
Ave neighs/atom = 107.782
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.841765777181, Press = -0.644676804805102
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8449.247      -8449.247      -8512.3081     -8512.3081      244.05308      244.05308      23725.506      23725.506     -2475.284      -2475.284     
     98000  -8447.0241     -8447.0241     -8511.1627     -8511.1627      248.22307      248.22307      23676.774      23676.774      1383.0217      1383.0217    
Loop time of 63.5292 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.360 ns/day, 17.647 hours/ns, 15.741 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.447     | 63.447     | 63.447     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014976   | 0.014976   | 0.014976   |   0.0 |  0.02
Output  | 2.7772e-05 | 2.7772e-05 | 2.7772e-05 |   0.0 |  0.00
Modify  | 0.061746   | 0.061746   | 0.061746   |   0.0 |  0.10
Other   |            | 0.005179   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214192 ave      214192 max      214192 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214192
Ave neighs/atom = 107.096
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.838883696426, Press = -0.0120680792927384
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.0241     -8447.0241     -8511.1627     -8511.1627      248.22307      248.22307      23676.774      23676.774      1383.0217      1383.0217    
     99000  -8446.3053     -8446.3053     -8512.7805     -8512.7805      257.26597      257.26597      23694.003      23694.003     -181.7932      -181.7932     
Loop time of 63.7364 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.705 hours/ns, 15.690 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.655     | 63.655     | 63.655     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01489    | 0.01489    | 0.01489    |   0.0 |  0.02
Output  | 2.7422e-05 | 2.7422e-05 | 2.7422e-05 |   0.0 |  0.00
Modify  | 0.06166    | 0.06166    | 0.06166    |   0.0 |  0.10
Other   |            | 0.005153   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214908 ave      214908 max      214908 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214908
Ave neighs/atom = 107.454
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.835497121769, Press = -0.62555122424766
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8446.3053     -8446.3053     -8512.7805     -8512.7805      257.26597      257.26597      23694.003      23694.003     -181.7932      -181.7932     
    100000  -8449.026      -8449.026      -8514.1651     -8514.1651      252.09507      252.09507      23702.659      23702.659     -1169.8612     -1169.8612    
Loop time of 63.667 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.357 ns/day, 17.685 hours/ns, 15.707 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.585     | 63.585     | 63.585     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01494    | 0.01494    | 0.01494    |   0.0 |  0.02
Output  | 5.1557e-05 | 5.1557e-05 | 5.1557e-05 |   0.0 |  0.00
Modify  | 0.061674   | 0.061674   | 0.061674   |   0.0 |  0.10
Other   |            | 0.005155   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214642 ave      214642 max      214642 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214642
Ave neighs/atom = 107.321
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.816251799567, Press = -0.128510231880852
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8449.026      -8449.026      -8514.1651     -8514.1651      252.09507      252.09507      23702.659      23702.659     -1169.8612     -1169.8612    
    101000  -8447.9685     -8447.9685     -8512.3296     -8512.3296      249.08414      249.08414      23644.666      23644.666      3272.7409      3272.7409    
Loop time of 63.6139 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.671 hours/ns, 15.720 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.532     | 63.532     | 63.532     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014894   | 0.014894   | 0.014894   |   0.0 |  0.02
Output  | 2.7151e-05 | 2.7151e-05 | 2.7151e-05 |   0.0 |  0.00
Modify  | 0.061795   | 0.061795   | 0.061795   |   0.0 |  0.10
Other   |            | 0.005164   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214588 ave      214588 max      214588 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214588
Ave neighs/atom = 107.294
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.799560753422, Press = -0.437165441263258
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.9685     -8447.9685     -8512.3296     -8512.3296      249.08414      249.08414      23644.666      23644.666      3272.7409      3272.7409    
    102000  -8448.2739     -8448.2739     -8512.9474     -8512.9474      250.29309      250.29309      23743.798      23743.798     -3875.1104     -3875.1104    
Loop time of 63.7285 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.702 hours/ns, 15.692 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.647     | 63.647     | 63.647     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014969   | 0.014969   | 0.014969   |   0.0 |  0.02
Output  | 2.7332e-05 | 2.7332e-05 | 2.7332e-05 |   0.0 |  0.00
Modify  | 0.061723   | 0.061723   | 0.061723   |   0.0 |  0.10
Other   |            | 0.005165   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215134 ave      215134 max      215134 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215134
Ave neighs/atom = 107.567
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.794264101711, Press = -0.605199159895995
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8448.2739     -8448.2739     -8512.9474     -8512.9474      250.29309      250.29309      23743.798      23743.798     -3875.1104     -3875.1104    
    103000  -8447.394      -8447.394      -8512.5491     -8512.5491      252.15724      252.15724      23665.487      23665.487      1896.9215      1896.9215    
Loop time of 63.6238 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.673 hours/ns, 15.717 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.542     | 63.542     | 63.542     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014903   | 0.014903   | 0.014903   |   0.0 |  0.02
Output  | 2.7151e-05 | 2.7151e-05 | 2.7151e-05 |   0.0 |  0.00
Modify  | 0.061731   | 0.061731   | 0.061731   |   0.0 |  0.10
Other   |            | 0.005166   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       213952 ave      213952 max      213952 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 213952
Ave neighs/atom = 106.976
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 = 252.783565322156, Press = 0.193011704405599
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.394      -8447.394      -8512.5491     -8512.5491      252.15724      252.15724      23665.487      23665.487      1896.9215      1896.9215    
    104000  -8447.693      -8447.693      -8512.7088     -8512.7088      251.61791      251.61791      23700.396      23700.396     -763.08265     -763.08265    
Loop time of 63.7433 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.355 ns/day, 17.706 hours/ns, 15.688 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.662     | 63.662     | 63.662     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014861   | 0.014861   | 0.014861   |   0.0 |  0.02
Output  | 2.647e-05  | 2.647e-05  | 2.647e-05  |   0.0 |  0.00
Modify  | 0.061682   | 0.061682   | 0.061682   |   0.0 |  0.10
Other   |            | 0.005175   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215108 ave      215108 max      215108 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215108
Ave neighs/atom = 107.554
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.793432620902, Press = -0.712076161955311
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.693      -8447.693      -8512.7088     -8512.7088      251.61791      251.61791      23700.396      23700.396     -763.08265     -763.08265    
    105000  -8446.3844     -8446.3844     -8512.4664     -8512.4664      255.74418      255.74418      23694.399      23694.399     -150.57477     -150.57477    
Loop time of 63.6827 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.357 ns/day, 17.690 hours/ns, 15.703 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.601     | 63.601     | 63.601     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014882   | 0.014882   | 0.014882   |   0.0 |  0.02
Output  | 2.7021e-05 | 2.7021e-05 | 2.7021e-05 |   0.0 |  0.00
Modify  | 0.061726   | 0.061726   | 0.061726   |   0.0 |  0.10
Other   |            | 0.005172   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214476 ave      214476 max      214476 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214476
Ave neighs/atom = 107.238
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.793055191517, Press = 0.077260725492378
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8446.3844     -8446.3844     -8512.4664     -8512.4664      255.74418      255.74418      23694.399      23694.399     -150.57477     -150.57477    
    106000  -8445.8665     -8445.8665     -8512.2892     -8512.2892      257.0625       257.0625       23674.568      23674.568      1210.7948      1210.7948    
Loop time of 63.6458 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.679 hours/ns, 15.712 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.564     | 63.564     | 63.564     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01489    | 0.01489    | 0.01489    |   0.0 |  0.02
Output  | 2.7382e-05 | 2.7382e-05 | 2.7382e-05 |   0.0 |  0.00
Modify  | 0.061614   | 0.061614   | 0.061614   |   0.0 |  0.10
Other   |            | 0.005174   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214636 ave      214636 max      214636 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214636
Ave neighs/atom = 107.318
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.800273987142, Press = -0.523916542685412
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8445.8665     -8445.8665     -8512.2892     -8512.2892      257.0625       257.0625       23674.568      23674.568      1210.7948      1210.7948    
    107000  -8445.7018     -8445.7018     -8512.4778     -8512.4778      258.43021      258.43021      23750.703      23750.703     -4081.0528     -4081.0528    
Loop time of 63.644 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.679 hours/ns, 15.712 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.562     | 63.562     | 63.562     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014842   | 0.014842   | 0.014842   |   0.0 |  0.02
Output  | 2.7492e-05 | 2.7492e-05 | 2.7492e-05 |   0.0 |  0.00
Modify  | 0.061703   | 0.061703   | 0.061703   |   0.0 |  0.10
Other   |            | 0.005171   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214688 ave      214688 max      214688 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214688
Ave neighs/atom = 107.344
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.796126080733, Press = -0.383142189057727
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8445.7018     -8445.7018     -8512.4778     -8512.4778      258.43021      258.43021      23750.703      23750.703     -4081.0528     -4081.0528    
    108000  -8449.7053     -8449.7053     -8515.3519     -8515.3519      254.05905      254.05905      23634.718      23634.718      3558.6099      3558.6099    
Loop time of 63.5292 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.360 ns/day, 17.647 hours/ns, 15.741 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.447     | 63.447     | 63.447     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014869   | 0.014869   | 0.014869   |   0.0 |  0.02
Output  | 2.7301e-05 | 2.7301e-05 | 2.7301e-05 |   0.0 |  0.00
Modify  | 0.061692   | 0.061692   | 0.061692   |   0.0 |  0.10
Other   |            | 0.005172   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       213904 ave      213904 max      213904 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 213904
Ave neighs/atom = 106.952
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 = 252.78417548104, Press = 0.349332101960568
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8449.7053     -8449.7053     -8515.3519     -8515.3519      254.05905      254.05905      23634.718      23634.718      3558.6099      3558.6099    
    109000  -8447.6591     -8447.6591     -8511.794      -8511.794       248.20864      248.20864      23702.763      23702.763     -839.44971     -839.44971    
Loop time of 63.7481 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.355 ns/day, 17.708 hours/ns, 15.687 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.666     | 63.666     | 63.666     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014953   | 0.014953   | 0.014953   |   0.0 |  0.02
Output  | 2.8003e-05 | 2.8003e-05 | 2.8003e-05 |   0.0 |  0.00
Modify  | 0.061754   | 0.061754   | 0.061754   |   0.0 |  0.10
Other   |            | 0.005154   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215680 ave      215680 max      215680 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215680
Ave neighs/atom = 107.84
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.765974243336, Press = -0.712704833261053
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.6591     -8447.6591     -8511.794      -8511.794       248.20864      248.20864      23702.763      23702.763     -839.44971     -839.44971    
    110000  -8448.576      -8448.576      -8513.185      -8513.185       250.04325      250.04325      23685.735      23685.735      192.81194      192.81194    
Loop time of 63.6144 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.671 hours/ns, 15.720 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.533     | 63.533     | 63.533     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01487    | 0.01487    | 0.01487    |   0.0 |  0.02
Output  | 2.7291e-05 | 2.7291e-05 | 2.7291e-05 |   0.0 |  0.00
Modify  | 0.061638   | 0.061638   | 0.061638   |   0.0 |  0.10
Other   |            | 0.00516    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214176 ave      214176 max      214176 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214176
Ave neighs/atom = 107.088
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.767768902587, Press = 0.154615305099186
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8448.576      -8448.576      -8513.185      -8513.185       250.04325      250.04325      23685.735      23685.735      192.81194      192.81194    
    111000  -8446.8501     -8446.8501     -8512.4266     -8512.4266      253.78795      253.78795      23682.745      23682.745      660.95984      660.95984    
Loop time of 63.6965 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.693 hours/ns, 15.699 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.615     | 63.615     | 63.615     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014954   | 0.014954   | 0.014954   |   0.0 |  0.02
Output  | 3.206e-05  | 3.206e-05  | 3.206e-05  |   0.0 |  0.00
Modify  | 0.061617   | 0.061617   | 0.061617   |   0.0 |  0.10
Other   |            | 0.005178   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214772 ave      214772 max      214772 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214772
Ave neighs/atom = 107.386
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.756039944267, Press = -0.446703289195217
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8446.8501     -8446.8501     -8512.4266     -8512.4266      253.78795      253.78795      23682.745      23682.745      660.95984      660.95984    
    112000  -8445.7898     -8445.7898     -8511.7097     -8511.7097      255.11662      255.11662      23716.89       23716.89      -1671.652      -1671.652     
Loop time of 63.7207 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.700 hours/ns, 15.693 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.639     | 63.639     | 63.639     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014928   | 0.014928   | 0.014928   |   0.0 |  0.02
Output  | 2.7873e-05 | 2.7873e-05 | 2.7873e-05 |   0.0 |  0.00
Modify  | 0.061776   | 0.061776   | 0.061776   |   0.0 |  0.10
Other   |            | 0.005167   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214638 ave      214638 max      214638 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214638
Ave neighs/atom = 107.319
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.760949718207, Press = 0.0252590739593718
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8445.7898     -8445.7898     -8511.7097     -8511.7097      255.11662      255.11662      23716.89       23716.89      -1671.652      -1671.652     
    113000  -8448.5611     -8448.5611     -8512.6097     -8512.6097      247.87486      247.87486      23633.679      23633.679      4023.4184      4023.4184    
Loop time of 63.5272 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.360 ns/day, 17.646 hours/ns, 15.741 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.445     | 63.445     | 63.445     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014945   | 0.014945   | 0.014945   |   0.0 |  0.02
Output  | 2.7542e-05 | 2.7542e-05 | 2.7542e-05 |   0.0 |  0.00
Modify  | 0.061697   | 0.061697   | 0.061697   |   0.0 |  0.10
Other   |            | 0.005172   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214334 ave      214334 max      214334 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214334
Ave neighs/atom = 107.167
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.775084462549, Press = -0.239770256131886
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8448.5611     -8448.5611     -8512.6097     -8512.6097      247.87486      247.87486      23633.679      23633.679      4023.4184      4023.4184    
    114000  -8445.7324     -8445.7324     -8511.3437     -8511.3437      253.9226       253.9226       23741.408      23741.408     -3356.7771     -3356.7771    
Loop time of 63.5743 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.359 ns/day, 17.660 hours/ns, 15.730 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.493     | 63.493     | 63.493     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014872   | 0.014872   | 0.014872   |   0.0 |  0.02
Output  | 2.6921e-05 | 2.6921e-05 | 2.6921e-05 |   0.0 |  0.00
Modify  | 0.061675   | 0.061675   | 0.061675   |   0.0 |  0.10
Other   |            | 0.005164   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215302 ave      215302 max      215302 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215302
Ave neighs/atom = 107.651
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.791903722955, Press = -0.404304925912075
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8445.7324     -8445.7324     -8511.3437     -8511.3437      253.9226       253.9226       23741.408      23741.408     -3356.7771     -3356.7771    
    115000  -8447.8102     -8447.8102     -8511.3992     -8511.3992      246.09579      246.09579      23666.543      23666.543      1892.3507      1892.3507    
Loop time of 63.5386 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.360 ns/day, 17.650 hours/ns, 15.738 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.457     | 63.457     | 63.457     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014831   | 0.014831   | 0.014831   |   0.0 |  0.02
Output  | 2.7972e-05 | 2.7972e-05 | 2.7972e-05 |   0.0 |  0.00
Modify  | 0.061644   | 0.061644   | 0.061644   |   0.0 |  0.10
Other   |            | 0.005148   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       213784 ave      213784 max      213784 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 213784
Ave neighs/atom = 106.892
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 = 252.803581580746, Press = 0.276081551380974
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.8102     -8447.8102     -8511.3992     -8511.3992      246.09579      246.09579      23666.543      23666.543      1892.3507      1892.3507    
    116000  -8446.1268     -8446.1268     -8512.7444     -8512.7444      257.81712      257.81712      23696.329      23696.329     -317.54952     -317.54952    
Loop time of 63.6738 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.357 ns/day, 17.687 hours/ns, 15.705 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.592     | 63.592     | 63.592     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014875   | 0.014875   | 0.014875   |   0.0 |  0.02
Output  | 2.7181e-05 | 2.7181e-05 | 2.7181e-05 |   0.0 |  0.00
Modify  | 0.061613   | 0.061613   | 0.061613   |   0.0 |  0.10
Other   |            | 0.005156   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214670 ave      214670 max      214670 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214670
Ave neighs/atom = 107.335
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.828126923875, Press = -0.588169246295324
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8446.1268     -8446.1268     -8512.7444     -8512.7444      257.81712      257.81712      23696.329      23696.329     -317.54952     -317.54952    
    117000  -8445.4554     -8445.4554     -8512.1301     -8512.1301      258.0381       258.0381       23713.206      23713.206     -1357.473      -1357.473     
Loop time of 63.7722 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.355 ns/day, 17.714 hours/ns, 15.681 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.69      | 63.69      | 63.69      |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014832   | 0.014832   | 0.014832   |   0.0 |  0.02
Output  | 2.7912e-05 | 2.7912e-05 | 2.7912e-05 |   0.0 |  0.00
Modify  | 0.061727   | 0.061727   | 0.061727   |   0.0 |  0.10
Other   |            | 0.00516    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214780 ave      214780 max      214780 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214780
Ave neighs/atom = 107.39
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.828816272554, Press = 0.0958197686531665
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8445.4554     -8445.4554     -8512.1301     -8512.1301      258.0381       258.0381       23713.206      23713.206     -1357.473      -1357.473     
    118000  -8446.9145     -8446.9145     -8513.0202     -8513.0202      255.83604      255.83604      23661.431      23661.431      2141.349       2141.349     
Loop time of 63.588 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.359 ns/day, 17.663 hours/ns, 15.726 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.506     | 63.506     | 63.506     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014873   | 0.014873   | 0.014873   |   0.0 |  0.02
Output  | 2.8564e-05 | 2.8564e-05 | 2.8564e-05 |   0.0 |  0.00
Modify  | 0.061663   | 0.061663   | 0.061663   |   0.0 |  0.10
Other   |            | 0.005164   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214396 ave      214396 max      214396 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214396
Ave neighs/atom = 107.198
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.819941349259, Press = -0.33166969477354
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8446.9145     -8446.9145     -8513.0202     -8513.0202      255.83604      255.83604      23661.431      23661.431      2141.349       2141.349     
    119000  -8445.6308     -8445.6308     -8511.8275     -8511.8275      256.18802      256.18802      23738.383      23738.383     -3112.9685     -3112.9685    
Loop time of 63.7194 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.700 hours/ns, 15.694 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.638     | 63.638     | 63.638     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014917   | 0.014917   | 0.014917   |   0.0 |  0.02
Output  | 2.7752e-05 | 2.7752e-05 | 2.7752e-05 |   0.0 |  0.00
Modify  | 0.061667   | 0.061667   | 0.061667   |   0.0 |  0.10
Other   |            | 0.00515    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215266 ave      215266 max      215266 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215266
Ave neighs/atom = 107.633
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.832721630723, Press = -0.337008371254701
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8445.6308     -8445.6308     -8511.8275     -8511.8275      256.18802      256.18802      23738.383      23738.383     -3112.9685     -3112.9685    
    120000  -8445.0261     -8445.0261     -8512.7154     -8512.7154      261.96475      261.96475      23653.812      23653.812      2806.6475      2806.6475    
Loop time of 63.7383 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.705 hours/ns, 15.689 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.657     | 63.657     | 63.657     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0149     | 0.0149     | 0.0149     |   0.0 |  0.02
Output  | 2.7181e-05 | 2.7181e-05 | 2.7181e-05 |   0.0 |  0.00
Modify  | 0.061657   | 0.061657   | 0.061657   |   0.0 |  0.10
Other   |            | 0.005153   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214124 ave      214124 max      214124 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214124
Ave neighs/atom = 107.062
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.831083880631, Press = 0.291369066814192
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8445.0261     -8445.0261     -8512.7154     -8512.7154      261.96475      261.96475      23653.812      23653.812      2806.6475      2806.6475    
    121000  -8446.5778     -8446.5778     -8512.82       -8512.82        256.36396      256.36396      23707.103      23707.103     -1041.2535     -1041.2535    
Loop time of 63.6427 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.679 hours/ns, 15.713 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.561     | 63.561     | 63.561     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014898   | 0.014898   | 0.014898   |   0.0 |  0.02
Output  | 2.667e-05  | 2.667e-05  | 2.667e-05  |   0.0 |  0.00
Modify  | 0.061625   | 0.061625   | 0.061625   |   0.0 |  0.10
Other   |            | 0.005167   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215248 ave      215248 max      215248 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215248
Ave neighs/atom = 107.624
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.851313007748, Press = -0.480346020197799
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8446.5778     -8446.5778     -8512.82       -8512.82        256.36396      256.36396      23707.103      23707.103     -1041.2535     -1041.2535    
    122000  -8446.0881     -8446.0881     -8511.3716     -8511.3716      252.65367      252.65367      23690.555      23690.555      269.51709      269.51709    
Loop time of 63.7554 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.355 ns/day, 17.710 hours/ns, 15.685 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.674     | 63.674     | 63.674     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0149     | 0.0149     | 0.0149     |   0.0 |  0.02
Output  | 2.7461e-05 | 2.7461e-05 | 2.7461e-05 |   0.0 |  0.00
Modify  | 0.06172    | 0.06172    | 0.06172    |   0.0 |  0.10
Other   |            | 0.005167   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214570 ave      214570 max      214570 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214570
Ave neighs/atom = 107.285
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.857760309498, Press = 0.093386847245417
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8446.0881     -8446.0881     -8511.3716     -8511.3716      252.65367      252.65367      23690.555      23690.555      269.51709      269.51709    
    123000  -8452.3295     -8452.3295     -8515.0311     -8515.0311      242.66193      242.66193      23678.315      23678.315      455.3019       455.3019     
Loop time of 63.7318 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.703 hours/ns, 15.691 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.65      | 63.65      | 63.65      |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014881   | 0.014881   | 0.014881   |   0.0 |  0.02
Output  | 2.7532e-05 | 2.7532e-05 | 2.7532e-05 |   0.0 |  0.00
Modify  | 0.061679   | 0.061679   | 0.061679   |   0.0 |  0.10
Other   |            | 0.005166   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214614 ave      214614 max      214614 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214614
Ave neighs/atom = 107.307
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.85868804797, Press = -0.319179801633976
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8452.3295     -8452.3295     -8515.0311     -8515.0311      242.66193      242.66193      23678.315      23678.315      455.3019       455.3019     
    124000  -8447.0924     -8447.0924     -8512.4042     -8512.4042      252.7636       252.7636       23712.238      23712.238     -1376.0793     -1376.0793    
Loop time of 63.77 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.355 ns/day, 17.714 hours/ns, 15.681 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.688     | 63.688     | 63.688     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014888   | 0.014888   | 0.014888   |   0.0 |  0.02
Output  | 2.652e-05  | 2.652e-05  | 2.652e-05  |   0.0 |  0.00
Modify  | 0.061667   | 0.061667   | 0.061667   |   0.0 |  0.10
Other   |            | 0.005163   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215362 ave      215362 max      215362 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215362
Ave neighs/atom = 107.681
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.847270592385, Press = 0.121826602067
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.0924     -8447.0924     -8512.4042     -8512.4042      252.7636       252.7636       23712.238      23712.238     -1376.0793     -1376.0793    
    125000  -8448.6004     -8448.6004     -8513.8387     -8513.8387      252.47896      252.47896      23632.851      23632.851      4036.0752      4036.0752    
Loop time of 63.6933 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.693 hours/ns, 15.700 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.612     | 63.612     | 63.612     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014836   | 0.014836   | 0.014836   |   0.0 |  0.02
Output  | 2.9717e-05 | 2.9717e-05 | 2.9717e-05 |   0.0 |  0.00
Modify  | 0.061659   | 0.061659   | 0.061659   |   0.0 |  0.10
Other   |            | 0.005161   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214460 ave      214460 max      214460 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214460
Ave neighs/atom = 107.23
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.843669363139, Press = -0.376717132887272
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8448.6004     -8448.6004     -8513.8387     -8513.8387      252.47896      252.47896      23632.851      23632.851      4036.0752      4036.0752    
    126000  -8450.9954     -8450.9954     -8515.3674     -8515.3674      249.12632      249.12632      23719.701      23719.701     -2575.6788     -2575.6788    
Loop time of 63.855 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.353 ns/day, 17.738 hours/ns, 15.660 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.773     | 63.773     | 63.773     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014856   | 0.014856   | 0.014856   |   0.0 |  0.02
Output  | 2.669e-05  | 2.669e-05  | 2.669e-05  |   0.0 |  0.00
Modify  | 0.061701   | 0.061701   | 0.061701   |   0.0 |  0.10
Other   |            | 0.00516    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215744 ave      215744 max      215744 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215744
Ave neighs/atom = 107.872
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.842151234947, Press = -0.240313208888486
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8450.9954     -8450.9954     -8515.3674     -8515.3674      249.12632      249.12632      23719.701      23719.701     -2575.6788     -2575.6788    
    127000  -8446.0921     -8446.0921     -8512.6228     -8512.6228      257.48079      257.48079      23681.745      23681.745      835.01729      835.01729    
Loop time of 63.6583 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.357 ns/day, 17.683 hours/ns, 15.709 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.577     | 63.577     | 63.577     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014905   | 0.014905   | 0.014905   |   0.0 |  0.02
Output  | 2.6901e-05 | 2.6901e-05 | 2.6901e-05 |   0.0 |  0.00
Modify  | 0.06164    | 0.06164    | 0.06164    |   0.0 |  0.10
Other   |            | 0.005167   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214516 ave      214516 max      214516 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214516
Ave neighs/atom = 107.258
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.829047335101, Press = 0.124389536436086
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8446.0921     -8446.0921     -8512.6228     -8512.6228      257.48079      257.48079      23681.745      23681.745      835.01729      835.01729    
    128000  -8447.634      -8447.634      -8512.6621     -8512.6621      251.66574      251.66574      23696.509      23696.509     -484.0708      -484.0708     
Loop time of 63.6475 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.357 ns/day, 17.680 hours/ns, 15.712 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.566     | 63.566     | 63.566     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014838   | 0.014838   | 0.014838   |   0.0 |  0.02
Output  | 4.0747e-05 | 4.0747e-05 | 4.0747e-05 |   0.0 |  0.00
Modify  | 0.061657   | 0.061657   | 0.061657   |   0.0 |  0.10
Other   |            | 0.005156   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214842 ave      214842 max      214842 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214842
Ave neighs/atom = 107.421
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.818916435708, Press = -0.445375093376914
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.634      -8447.634      -8512.6621     -8512.6621      251.66574      251.66574      23696.509      23696.509     -484.0708      -484.0708     
    129000  -8445.1594     -8445.1594     -8511.9921     -8511.9921      258.64929      258.64929      23708.166      23708.166     -901.05504     -901.05504    
Loop time of 63.5311 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.360 ns/day, 17.648 hours/ns, 15.740 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.449     | 63.449     | 63.449     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014963   | 0.014963   | 0.014963   |   0.0 |  0.02
Output  | 4.0697e-05 | 4.0697e-05 | 4.0697e-05 |   0.0 |  0.00
Modify  | 0.061706   | 0.061706   | 0.061706   |   0.0 |  0.10
Other   |            | 0.005166   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214520 ave      214520 max      214520 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214520
Ave neighs/atom = 107.26
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.816595629142, Press = 0.253451575644361
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8445.1594     -8445.1594     -8511.9921     -8511.9921      258.64929      258.64929      23708.166      23708.166     -901.05504     -901.05504    
    130000  -8449.9216     -8449.9216     -8515.5605     -8515.5605      254.02914      254.02914      23634.066      23634.066      3726.2252      3726.2252    
Loop time of 63.7796 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.355 ns/day, 17.717 hours/ns, 15.679 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.698     | 63.698     | 63.698     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014869   | 0.014869   | 0.014869   |   0.0 |  0.02
Output  | 4.0156e-05 | 4.0156e-05 | 4.0156e-05 |   0.0 |  0.00
Modify  | 0.061768   | 0.061768   | 0.061768   |   0.0 |  0.10
Other   |            | 0.005147   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214370 ave      214370 max      214370 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214370
Ave neighs/atom = 107.185
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.812481767548, Press = -0.618924968112025
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8449.9216     -8449.9216     -8515.5605     -8515.5605      254.02914      254.02914      23634.066      23634.066      3726.2252      3726.2252    
    131000  -8446.8561     -8446.8561     -8512.4731     -8512.4731      253.94423      253.94423      23729.429      23729.429     -2682.2525     -2682.2525    
Loop time of 63.757 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.355 ns/day, 17.710 hours/ns, 15.685 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.675     | 63.675     | 63.675     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014964   | 0.014964   | 0.014964   |   0.0 |  0.02
Output  | 7.434e-05  | 7.434e-05  | 7.434e-05  |   0.0 |  0.00
Modify  | 0.06173    | 0.06173    | 0.06173    |   0.0 |  0.10
Other   |            | 0.005166   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215998 ave      215998 max      215998 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215998
Ave neighs/atom = 107.999
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.796907232553, Press = -0.00240538404464026
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8446.8561     -8446.8561     -8512.4731     -8512.4731      253.94423      253.94423      23729.429      23729.429     -2682.2525     -2682.2525    
    132000  -8447.6054     -8447.6054     -8512.7041     -8512.7041      251.93856      251.93856      23667.501      23667.501      1739.2788      1739.2788    
Loop time of 63.6489 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.357 ns/day, 17.680 hours/ns, 15.711 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.567     | 63.567     | 63.567     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014925   | 0.014925   | 0.014925   |   0.0 |  0.02
Output  | 4.1658e-05 | 4.1658e-05 | 4.1658e-05 |   0.0 |  0.00
Modify  | 0.061792   | 0.061792   | 0.061792   |   0.0 |  0.10
Other   |            | 0.005171   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214374 ave      214374 max      214374 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214374
Ave neighs/atom = 107.187
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.799082425658, Press = 0.0296939014894752
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.6054     -8447.6054     -8512.7041     -8512.7041      251.93856      251.93856      23667.501      23667.501      1739.2788      1739.2788    
    133000  -8446.4774     -8446.4774     -8512.3591     -8512.3591      254.96864      254.96864      23721.239      23721.239     -2036.6581     -2036.6581    
Loop time of 63.7636 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.355 ns/day, 17.712 hours/ns, 15.683 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.682     | 63.682     | 63.682     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014948   | 0.014948   | 0.014948   |   0.0 |  0.02
Output  | 4.0687e-05 | 4.0687e-05 | 4.0687e-05 |   0.0 |  0.00
Modify  | 0.061673   | 0.061673   | 0.061673   |   0.0 |  0.10
Other   |            | 0.005179   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215128 ave      215128 max      215128 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215128
Ave neighs/atom = 107.564
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.782008831217, Press = -0.294095510860373
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8446.4774     -8446.4774     -8512.3591     -8512.3591      254.96864      254.96864      23721.239      23721.239     -2036.6581     -2036.6581    
    134000  -8449.351      -8449.351      -8514.9837     -8514.9837      254.00556      254.00556      23671.836      23671.836      1053.2641      1053.2641    
Loop time of 63.6254 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.674 hours/ns, 15.717 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.544     | 63.544     | 63.544     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014901   | 0.014901   | 0.014901   |   0.0 |  0.02
Output  | 4.0426e-05 | 4.0426e-05 | 4.0426e-05 |   0.0 |  0.00
Modify  | 0.061763   | 0.061763   | 0.061763   |   0.0 |  0.10
Other   |            | 0.005163   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214360 ave      214360 max      214360 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214360
Ave neighs/atom = 107.18
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.780319115603, Press = 0.227603858089832
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8449.351      -8449.351      -8514.9837     -8514.9837      254.00556      254.00556      23671.836      23671.836      1053.2641      1053.2641    
    135000  -8447.2886     -8447.2886     -8511.7524     -8511.7524      249.48163      249.48163      23698.138      23698.138     -327.79016     -327.79016    
Loop time of 63.6279 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.674 hours/ns, 15.716 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.546     | 63.546     | 63.546     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014897   | 0.014897   | 0.014897   |   0.0 |  0.02
Output  | 4.1358e-05 | 4.1358e-05 | 4.1358e-05 |   0.0 |  0.00
Modify  | 0.061773   | 0.061773   | 0.061773   |   0.0 |  0.10
Other   |            | 0.005157   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215372 ave      215372 max      215372 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215372
Ave neighs/atom = 107.686
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.78346660126, Press = -0.619685876358033
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.2886     -8447.2886     -8511.7524     -8511.7524      249.48163      249.48163      23698.138      23698.138     -327.79016     -327.79016    
    136000  -8449.5269     -8449.5269     -8513.1058     -8513.1058      246.05698      246.05698      23712.607      23712.607     -1810.1964     -1810.1964    
Loop time of 63.607 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.669 hours/ns, 15.722 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.525     | 63.525     | 63.525     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015014   | 0.015014   | 0.015014   |   0.0 |  0.02
Output  | 4.0627e-05 | 4.0627e-05 | 4.0627e-05 |   0.0 |  0.00
Modify  | 0.06183    | 0.06183    | 0.06183    |   0.0 |  0.10
Other   |            | 0.005172   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214650 ave      214650 max      214650 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214650
Ave neighs/atom = 107.325
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.782201800953, Press = 0.616627624291534
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8449.5269     -8449.5269     -8513.1058     -8513.1058      246.05698      246.05698      23712.607      23712.607     -1810.1964     -1810.1964    
    137000  -8449.1939     -8449.1939     -8513.5566     -8513.5566      249.09048      249.09048      23661.645      23661.645      1895.7656      1895.7656    
Loop time of 63.7125 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.698 hours/ns, 15.696 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.631     | 63.631     | 63.631     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014933   | 0.014933   | 0.014933   |   0.0 |  0.02
Output  | 4.1277e-05 | 4.1277e-05 | 4.1277e-05 |   0.0 |  0.00
Modify  | 0.06177    | 0.06177    | 0.06177    |   0.0 |  0.10
Other   |            | 0.00516    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214396 ave      214396 max      214396 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214396
Ave neighs/atom = 107.198
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.785414672249, Press = -0.309236193860379
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8449.1939     -8449.1939     -8513.5566     -8513.5566      249.09048      249.09048      23661.645      23661.645      1895.7656      1895.7656    
    138000  -8446.4037     -8446.4037     -8511.8596     -8511.8596      253.32092      253.32092      23710.768      23710.768     -1338.3454     -1338.3454    
Loop time of 63.6983 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.694 hours/ns, 15.699 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.616     | 63.616     | 63.616     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014948   | 0.014948   | 0.014948   |   0.0 |  0.02
Output  | 4.0506e-05 | 4.0506e-05 | 4.0506e-05 |   0.0 |  0.00
Modify  | 0.061753   | 0.061753   | 0.061753   |   0.0 |  0.10
Other   |            | 0.005151   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215224 ave      215224 max      215224 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215224
Ave neighs/atom = 107.612
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.774173816232, Press = -0.0441532335441164
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8446.4037     -8446.4037     -8511.8596     -8511.8596      253.32092      253.32092      23710.768      23710.768     -1338.3454     -1338.3454    
    139000  -8450.0612     -8450.0612     -8515.5035     -8515.5035      253.26847      253.26847      23673.384      23673.384      805.83887      805.83887    
Loop time of 63.68 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.357 ns/day, 17.689 hours/ns, 15.704 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.598     | 63.598     | 63.598     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014855   | 0.014855   | 0.014855   |   0.0 |  0.02
Output  | 3.9624e-05 | 3.9624e-05 | 3.9624e-05 |   0.0 |  0.00
Modify  | 0.061773   | 0.061773   | 0.061773   |   0.0 |  0.10
Other   |            | 0.005167   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214316 ave      214316 max      214316 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214316
Ave neighs/atom = 107.158
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.76578710724, Press = 0.126257571087185
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8450.0612     -8450.0612     -8515.5035     -8515.5035      253.26847      253.26847      23673.384      23673.384      805.83887      805.83887    
    140000  -8446.7341     -8446.7341     -8512.6472     -8512.6472      255.09045      255.09045      23707.521      23707.521     -1108.1761     -1108.1761    
Loop time of 63.6516 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.357 ns/day, 17.681 hours/ns, 15.711 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.57      | 63.57      | 63.57      |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015055   | 0.015055   | 0.015055   |   0.0 |  0.02
Output  | 4.1629e-05 | 4.1629e-05 | 4.1629e-05 |   0.0 |  0.00
Modify  | 0.06171    | 0.06171    | 0.06171    |   0.0 |  0.10
Other   |            | 0.005158   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215300 ave      215300 max      215300 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215300
Ave neighs/atom = 107.65
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.753159617471, Press = -0.438436289722623
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8446.7341     -8446.7341     -8512.6472     -8512.6472      255.09045      255.09045      23707.521      23707.521     -1108.1761     -1108.1761    
    141000  -8448.6167     -8448.6167     -8513.1943     -8513.1943      249.92165      249.92165      23690.52       23690.52      -22.155257     -22.155257    
Loop time of 63.604 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.668 hours/ns, 15.722 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.522     | 63.522     | 63.522     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014856   | 0.014856   | 0.014856   |   0.0 |  0.02
Output  | 4.0105e-05 | 4.0105e-05 | 4.0105e-05 |   0.0 |  0.00
Modify  | 0.061774   | 0.061774   | 0.061774   |   0.0 |  0.10
Other   |            | 0.005156   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214504 ave      214504 max      214504 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214504
Ave neighs/atom = 107.252
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.752603517138, Press = 0.739204214588669
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8448.6167     -8448.6167     -8513.1943     -8513.1943      249.92165      249.92165      23690.52       23690.52      -22.155257     -22.155257    
    142000  -8445.0448     -8445.0448     -8513.256      -8513.256       263.9844       263.9844       23673.49       23673.49       1340.0311      1340.0311    
Loop time of 63.7064 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.696 hours/ns, 15.697 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.625     | 63.625     | 63.625     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014857   | 0.014857   | 0.014857   |   0.0 |  0.02
Output  | 4.1899e-05 | 4.1899e-05 | 4.1899e-05 |   0.0 |  0.00
Modify  | 0.061717   | 0.061717   | 0.061717   |   0.0 |  0.10
Other   |            | 0.005169   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214738 ave      214738 max      214738 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214738
Ave neighs/atom = 107.369
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.763990552799, Press = -0.527423920177627
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8445.0448     -8445.0448     -8513.256      -8513.256       263.9844       263.9844       23673.49       23673.49       1340.0311      1340.0311    
    143000  -8450.3686     -8450.3686     -8512.7853     -8512.7853      241.55883      241.55883      23705.131      23705.131     -1123.7987     -1123.7987    
Loop time of 63.7007 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.695 hours/ns, 15.698 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.619     | 63.619     | 63.619     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014856   | 0.014856   | 0.014856   |   0.0 |  0.02
Output  | 4.0165e-05 | 4.0165e-05 | 4.0165e-05 |   0.0 |  0.00
Modify  | 0.061705   | 0.061705   | 0.061705   |   0.0 |  0.10
Other   |            | 0.005174   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215138 ave      215138 max      215138 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215138
Ave neighs/atom = 107.569
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.762476526792, Press = 0.126043094597676
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8450.3686     -8450.3686     -8512.7853     -8512.7853      241.55883      241.55883      23705.131      23705.131     -1123.7987     -1123.7987    
    144000  -8446.9768     -8446.9768     -8512.4166     -8512.4166      253.25876      253.25876      23673.903      23673.903      1340.1337      1340.1337    
Loop time of 63.6146 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.671 hours/ns, 15.720 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.533     | 63.533     | 63.533     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014848   | 0.014848   | 0.014848   |   0.0 |  0.02
Output  | 4.0717e-05 | 4.0717e-05 | 4.0717e-05 |   0.0 |  0.00
Modify  | 0.061749   | 0.061749   | 0.061749   |   0.0 |  0.10
Other   |            | 0.005168   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214594 ave      214594 max      214594 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214594
Ave neighs/atom = 107.297
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.76345079942, Press = 0.0484540466646578
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8446.9768     -8446.9768     -8512.4166     -8512.4166      253.25876      253.25876      23673.903      23673.903      1340.1337      1340.1337    
    145000  -8450.1802     -8450.1802     -8514.83       -8514.83        250.2015       250.2015       23696.213      23696.213     -759.75008     -759.75008    
Loop time of 63.731 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.703 hours/ns, 15.691 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.649     | 63.649     | 63.649     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014876   | 0.014876   | 0.014876   |   0.0 |  0.02
Output  | 4.229e-05  | 4.229e-05  | 4.229e-05  |   0.0 |  0.00
Modify  | 0.061747   | 0.061747   | 0.061747   |   0.0 |  0.10
Other   |            | 0.00518    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214878 ave      214878 max      214878 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214878
Ave neighs/atom = 107.439
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.764069662272, Press = -0.225667143821077
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8450.1802     -8450.1802     -8514.83       -8514.83        250.2015       250.2015       23696.213      23696.213     -759.75008     -759.75008    
    146000  -8445.6934     -8445.6934     -8511.24       -8511.24        253.67227      253.67227      23691.998      23691.998      228.73794      228.73794    
Loop time of 63.6753 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.357 ns/day, 17.688 hours/ns, 15.705 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.594     | 63.594     | 63.594     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014855   | 0.014855   | 0.014855   |   0.0 |  0.02
Output  | 4.1428e-05 | 4.1428e-05 | 4.1428e-05 |   0.0 |  0.00
Modify  | 0.061732   | 0.061732   | 0.061732   |   0.0 |  0.10
Other   |            | 0.005161   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214770 ave      214770 max      214770 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214770
Ave neighs/atom = 107.385
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.756744223913, Press = 0.409870733537962
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8445.6934     -8445.6934     -8511.24       -8511.24        253.67227      253.67227      23691.998      23691.998      228.73794      228.73794    
    147000  -8450.1173     -8450.1173     -8513.9195     -8513.9195      246.92092      246.92092      23665.929      23665.929      1578.6015      1578.6015    
Loop time of 63.6867 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.357 ns/day, 17.691 hours/ns, 15.702 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.605     | 63.605     | 63.605     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014871   | 0.014871   | 0.014871   |   0.0 |  0.02
Output  | 4.3482e-05 | 4.3482e-05 | 4.3482e-05 |   0.0 |  0.00
Modify  | 0.061722   | 0.061722   | 0.061722   |   0.0 |  0.10
Other   |            | 0.005162   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214634 ave      214634 max      214634 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214634
Ave neighs/atom = 107.317
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.750669249491, Press = -0.524636811814865
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8450.1173     -8450.1173     -8513.9195     -8513.9195      246.92092      246.92092      23665.929      23665.929      1578.6015      1578.6015    
    148000  -8445.9045     -8445.9045     -8512.1119     -8512.1119      256.22939      256.22939      23724.469      23724.469     -2134.7979     -2134.7979    
Loop time of 63.7047 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.696 hours/ns, 15.697 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.623     | 63.623     | 63.623     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014852   | 0.014852   | 0.014852   |   0.0 |  0.02
Output  | 3.9755e-05 | 3.9755e-05 | 3.9755e-05 |   0.0 |  0.00
Modify  | 0.061695   | 0.061695   | 0.061695   |   0.0 |  0.10
Other   |            | 0.005166   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215326 ave      215326 max      215326 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215326
Ave neighs/atom = 107.663
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.741969515316, Press = 0.179081226638768
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8445.9045     -8445.9045     -8512.1119     -8512.1119      256.22939      256.22939      23724.469      23724.469     -2134.7979     -2134.7979    
    149000  -8447.3775     -8447.3775     -8512.8536     -8512.8536      253.39938      253.39938      23667.425      23667.425      1657.2627      1657.2627    
Loop time of 63.5871 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.359 ns/day, 17.663 hours/ns, 15.726 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.505     | 63.505     | 63.505     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014954   | 0.014954   | 0.014954   |   0.0 |  0.02
Output  | 4.1599e-05 | 4.1599e-05 | 4.1599e-05 |   0.0 |  0.00
Modify  | 0.061703   | 0.061703   | 0.061703   |   0.0 |  0.10
Other   |            | 0.005158   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214216 ave      214216 max      214216 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214216
Ave neighs/atom = 107.108
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.72809495444, Press = -0.00942230473138715
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.3775     -8447.3775     -8512.8536     -8512.8536      253.39938      253.39938      23667.425      23667.425      1657.2627      1657.2627    
    150000  -8447.1066     -8447.1066     -8513.8168     -8513.8168      258.17541      258.17541      23718.673      23718.673     -2068.8645     -2068.8645    
Loop time of 63.6267 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.674 hours/ns, 15.717 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.545     | 63.545     | 63.545     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014859   | 0.014859   | 0.014859   |   0.0 |  0.02
Output  | 3.9564e-05 | 3.9564e-05 | 3.9564e-05 |   0.0 |  0.00
Modify  | 0.061722   | 0.061722   | 0.061722   |   0.0 |  0.10
Other   |            | 0.005158   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214944 ave      214944 max      214944 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214944
Ave neighs/atom = 107.472
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.717206559329, Press = -0.113821260647094
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.1066     -8447.1066     -8513.8168     -8513.8168      258.17541      258.17541      23718.673      23718.673     -2068.8645     -2068.8645    
    151000  -8448.9563     -8448.9563     -8513.1397     -8513.1397      248.39633      248.39633      23666.252      23666.252      1633.0461      1633.0461    
Loop time of 63.5575 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.359 ns/day, 17.655 hours/ns, 15.734 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.476     | 63.476     | 63.476     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014888   | 0.014888   | 0.014888   |   0.0 |  0.02
Output  | 4.1038e-05 | 4.1038e-05 | 4.1038e-05 |   0.0 |  0.00
Modify  | 0.061739   | 0.061739   | 0.061739   |   0.0 |  0.10
Other   |            | 0.005145   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214642 ave      214642 max      214642 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214642
Ave neighs/atom = 107.321
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.713465851871, Press = 0.260550633130991
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8448.9563     -8448.9563     -8513.1397     -8513.1397      248.39633      248.39633      23666.252      23666.252      1633.0461      1633.0461    
    152000  -8443.816      -8443.816      -8510.294      -8510.294       257.27681      257.27681      23709.958      23709.958     -759.69202     -759.69202    
Loop time of 63.7453 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.355 ns/day, 17.707 hours/ns, 15.687 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.664     | 63.664     | 63.664     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014849   | 0.014849   | 0.014849   |   0.0 |  0.02
Output  | 4.0757e-05 | 4.0757e-05 | 4.0757e-05 |   0.0 |  0.00
Modify  | 0.061664   | 0.061664   | 0.061664   |   0.0 |  0.10
Other   |            | 0.005182   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215188 ave      215188 max      215188 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215188
Ave neighs/atom = 107.594
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.719505005866, Press = -0.313004418951156
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8443.816      -8443.816      -8510.294      -8510.294       257.27681      257.27681      23709.958      23709.958     -759.69202     -759.69202    
    153000  -8449.0797     -8449.0797     -8513.883      -8513.883       250.79557      250.79557      23679.318      23679.318      595.06123      595.06123    
Loop time of 63.5983 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.359 ns/day, 17.666 hours/ns, 15.724 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.516     | 63.516     | 63.516     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014937   | 0.014937   | 0.014937   |   0.0 |  0.02
Output  | 4.1488e-05 | 4.1488e-05 | 4.1488e-05 |   0.0 |  0.00
Modify  | 0.06176    | 0.06176    | 0.06176    |   0.0 |  0.10
Other   |            | 0.00516    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214296 ave      214296 max      214296 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214296
Ave neighs/atom = 107.148
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.735453720709, Press = 0.833761358668173
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8449.0797     -8449.0797     -8513.883      -8513.883       250.79557      250.79557      23679.318      23679.318      595.06123      595.06123    
    154000  -8448.4728     -8448.4728     -8513.1415     -8513.1415      250.27483      250.27483      23671.726      23671.726      1311.9265      1311.9265    
Loop time of 63.7034 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.695 hours/ns, 15.698 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.622     | 63.622     | 63.622     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014903   | 0.014903   | 0.014903   |   0.0 |  0.02
Output  | 4.0607e-05 | 4.0607e-05 | 4.0607e-05 |   0.0 |  0.00
Modify  | 0.061712   | 0.061712   | 0.061712   |   0.0 |  0.10
Other   |            | 0.005167   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214998 ave      214998 max      214998 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214998
Ave neighs/atom = 107.499
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.737875299557, Press = -0.511370041093156
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8448.4728     -8448.4728     -8513.1415     -8513.1415      250.27483      250.27483      23671.726      23671.726      1311.9265      1311.9265    
    155000  -8447.7696     -8447.7696     -8511.5204     -8511.5204      246.72209      246.72209      23718.846      23718.846     -1763.9774     -1763.9774    
Loop time of 63.53 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.360 ns/day, 17.647 hours/ns, 15.741 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.448     | 63.448     | 63.448     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014831   | 0.014831   | 0.014831   |   0.0 |  0.02
Output  | 4.1127e-05 | 4.1127e-05 | 4.1127e-05 |   0.0 |  0.00
Modify  | 0.06171    | 0.06171    | 0.06171    |   0.0 |  0.10
Other   |            | 0.005167   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215238 ave      215238 max      215238 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215238
Ave neighs/atom = 107.619
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.722188977291, Press = 0.184448375646213
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.7696     -8447.7696     -8511.5204     -8511.5204      246.72209      246.72209      23718.846      23718.846     -1763.9774     -1763.9774    
    156000  -8448.2384     -8448.2384     -8513.0925     -8513.0925      250.99215      250.99215      23670.681      23670.681      1433.391       1433.391     
Loop time of 63.5523 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.360 ns/day, 17.653 hours/ns, 15.735 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.47      | 63.47      | 63.47      |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014854   | 0.014854   | 0.014854   |   0.0 |  0.02
Output  | 4.0416e-05 | 4.0416e-05 | 4.0416e-05 |   0.0 |  0.00
Modify  | 0.061755   | 0.061755   | 0.061755   |   0.0 |  0.10
Other   |            | 0.005169   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214482 ave      214482 max      214482 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214482
Ave neighs/atom = 107.241
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.724923032234, Press = 0.0802227477695361
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8448.2384     -8448.2384     -8513.0925     -8513.0925      250.99215      250.99215      23670.681      23670.681      1433.391       1433.391     
    157000  -8448.653      -8448.653      -8513.3899     -8513.3899      250.5383       250.5383       23709.784      23709.784     -1486.4542     -1486.4542    
Loop time of 63.8422 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.353 ns/day, 17.734 hours/ns, 15.664 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.76      | 63.76      | 63.76      |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014852   | 0.014852   | 0.014852   |   0.0 |  0.02
Output  | 4.0447e-05 | 4.0447e-05 | 4.0447e-05 |   0.0 |  0.00
Modify  | 0.061724   | 0.061724   | 0.061724   |   0.0 |  0.10
Other   |            | 0.005152   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215186 ave      215186 max      215186 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215186
Ave neighs/atom = 107.593
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.708672212039, Press = -0.0859235242584015
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8448.653      -8448.653      -8513.3899     -8513.3899      250.5383       250.5383       23709.784      23709.784     -1486.4542     -1486.4542    
    158000  -8444.6243     -8444.6243     -8512.5775     -8512.5775      262.98624      262.98624      23676.362      23676.362      1219.4096      1219.4096    
Loop time of 63.6584 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.357 ns/day, 17.683 hours/ns, 15.709 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.577     | 63.577     | 63.577     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014935   | 0.014935   | 0.014935   |   0.0 |  0.02
Output  | 4.234e-05  | 4.234e-05  | 4.234e-05  |   0.0 |  0.00
Modify  | 0.061686   | 0.061686   | 0.061686   |   0.0 |  0.10
Other   |            | 0.005169   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214608 ave      214608 max      214608 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214608
Ave neighs/atom = 107.304
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.714398856111, Press = 0.245109544592217
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8444.6243     -8444.6243     -8512.5775     -8512.5775      262.98624      262.98624      23676.362      23676.362      1219.4096      1219.4096    
    159000  -8447.8563     -8447.8563     -8513.4767     -8513.4767      253.95775      253.95775      23721.236      23721.236     -2218.8124     -2218.8124    
Loop time of 63.5601 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.359 ns/day, 17.656 hours/ns, 15.733 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.478     | 63.478     | 63.478     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014819   | 0.014819   | 0.014819   |   0.0 |  0.02
Output  | 4.0566e-05 | 4.0566e-05 | 4.0566e-05 |   0.0 |  0.00
Modify  | 0.061767   | 0.061767   | 0.061767   |   0.0 |  0.10
Other   |            | 0.005146   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214942 ave      214942 max      214942 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214942
Ave neighs/atom = 107.471
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.723338555608, Press = -0.545399638812301
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.8563     -8447.8563     -8513.4767     -8513.4767      253.95775      253.95775      23721.236      23721.236     -2218.8124     -2218.8124    
    160000  -8445.9339     -8445.9339     -8511.3983     -8511.3983      253.35369      253.35369      23686.681      23686.681      584.73207      584.73207    
Loop time of 63.5106 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.360 ns/day, 17.642 hours/ns, 15.745 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.429     | 63.429     | 63.429     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01482    | 0.01482    | 0.01482    |   0.0 |  0.02
Output  | 4.1127e-05 | 4.1127e-05 | 4.1127e-05 |   0.0 |  0.00
Modify  | 0.061748   | 0.061748   | 0.061748   |   0.0 |  0.10
Other   |            | 0.005142   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214446 ave      214446 max      214446 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214446
Ave neighs/atom = 107.223
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.742899451264, Press = 0.518775749599891
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8445.9339     -8445.9339     -8511.3983     -8511.3983      253.35369      253.35369      23686.681      23686.681      584.73207      584.73207    
    161000  -8447.3196     -8447.3196     -8512.7374     -8512.7374      253.17361      253.17361      23682.213      23682.213      749.55242      749.55242    
Loop time of 63.6329 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.676 hours/ns, 15.715 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.551     | 63.551     | 63.551     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014863   | 0.014863   | 0.014863   |   0.0 |  0.02
Output  | 4.0095e-05 | 4.0095e-05 | 4.0095e-05 |   0.0 |  0.00
Modify  | 0.061702   | 0.061702   | 0.061702   |   0.0 |  0.10
Other   |            | 0.005167   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214736 ave      214736 max      214736 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214736
Ave neighs/atom = 107.368
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.749250229211, Press = -0.224676132304439
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.3196     -8447.3196     -8512.7374     -8512.7374      253.17361      253.17361      23682.213      23682.213      749.55242      749.55242    
    162000  -8446.5804     -8446.5804     -8511.5892     -8511.5892      251.59084      251.59084      23710.053      23710.053     -1075.6051     -1075.6051    
Loop time of 63.6912 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.357 ns/day, 17.692 hours/ns, 15.701 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.609     | 63.609     | 63.609     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014969   | 0.014969   | 0.014969   |   0.0 |  0.02
Output  | 7.3569e-05 | 7.3569e-05 | 7.3569e-05 |   0.0 |  0.00
Modify  | 0.061791   | 0.061791   | 0.061791   |   0.0 |  0.10
Other   |            | 0.005167   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215124 ave      215124 max      215124 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215124
Ave neighs/atom = 107.562
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.753800775964, Press = 0.33877246704921
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8446.5804     -8446.5804     -8511.5892     -8511.5892      251.59084      251.59084      23710.053      23710.053     -1075.6051     -1075.6051    
    163000  -8451.5383     -8451.5383     -8514.9811     -8514.9811      245.53023      245.53023      23650.409      23650.409      2515.4348      2515.4348    
Loop time of 63.7561 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.355 ns/day, 17.710 hours/ns, 15.685 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.674     | 63.674     | 63.674     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014922   | 0.014922   | 0.014922   |   0.0 |  0.02
Output  | 4.0847e-05 | 4.0847e-05 | 4.0847e-05 |   0.0 |  0.00
Modify  | 0.061741   | 0.061741   | 0.061741   |   0.0 |  0.10
Other   |            | 0.005165   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214536 ave      214536 max      214536 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214536
Ave neighs/atom = 107.268
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.751870952007, Press = 0.00576637710255036
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8451.5383     -8451.5383     -8514.9811     -8514.9811      245.53023      245.53023      23650.409      23650.409      2515.4348      2515.4348    
    164000  -8446.8056     -8446.8056     -8513.0009     -8513.0009      256.18291      256.18291      23719.052      23719.052     -1976.2821     -1976.2821    
Loop time of 63.8213 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.354 ns/day, 17.728 hours/ns, 15.669 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.74      | 63.74      | 63.74      |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01492    | 0.01492    | 0.01492    |   0.0 |  0.02
Output  | 4.1699e-05 | 4.1699e-05 | 4.1699e-05 |   0.0 |  0.00
Modify  | 0.061709   | 0.061709   | 0.061709   |   0.0 |  0.10
Other   |            | 0.005145   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215670 ave      215670 max      215670 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215670
Ave neighs/atom = 107.835
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.747537221938, Press = -0.0426945746146152
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8446.8056     -8446.8056     -8513.0009     -8513.0009      256.18291      256.18291      23719.052      23719.052     -1976.2821     -1976.2821    
    165000  -8449.7475     -8449.7475     -8513.6889     -8513.6889      247.45962      247.45962      23681.208      23681.208      445.10174      445.10174    
Loop time of 63.6139 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.671 hours/ns, 15.720 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.532     | 63.532     | 63.532     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014837   | 0.014837   | 0.014837   |   0.0 |  0.02
Output  | 3.9926e-05 | 3.9926e-05 | 3.9926e-05 |   0.0 |  0.00
Modify  | 0.061637   | 0.061637   | 0.061637   |   0.0 |  0.10
Other   |            | 0.005153   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214164 ave      214164 max      214164 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214164
Ave neighs/atom = 107.082
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 = 252.734519041351, Press = 0.128204553316563
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8449.7475     -8449.7475     -8513.6889     -8513.6889      247.45962      247.45962      23681.208      23681.208      445.10174      445.10174    
    166000  -8448.6806     -8448.6806     -8514.1572     -8514.1572      253.40132      253.40132      23701.253      23701.253     -903.93088     -903.93088    
Loop time of 63.6109 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.670 hours/ns, 15.721 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.529     | 63.529     | 63.529     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01486    | 0.01486    | 0.01486    |   0.0 |  0.02
Output  | 4.1989e-05 | 4.1989e-05 | 4.1989e-05 |   0.0 |  0.00
Modify  | 0.061691   | 0.061691   | 0.061691   |   0.0 |  0.10
Other   |            | 0.005137   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214804 ave      214804 max      214804 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214804
Ave neighs/atom = 107.402
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.73772111824, Press = 0.0452137332722435
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8448.6806     -8448.6806     -8514.1572     -8514.1572      253.40132      253.40132      23701.253      23701.253     -903.93088     -903.93088    
    167000  -8444.5195     -8444.5195     -8509.8578     -8509.8578      252.86621      252.86621      23684.85       23684.85       1031.0206      1031.0206    
Loop time of 63.593 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.359 ns/day, 17.665 hours/ns, 15.725 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.511     | 63.511     | 63.511     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014892   | 0.014892   | 0.014892   |   0.0 |  0.02
Output  | 4.0757e-05 | 4.0757e-05 | 4.0757e-05 |   0.0 |  0.00
Modify  | 0.061652   | 0.061652   | 0.061652   |   0.0 |  0.10
Other   |            | 0.005148   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214586 ave      214586 max      214586 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214586
Ave neighs/atom = 107.293
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.751376018215, Press = 0.112243344087244
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8444.5195     -8444.5195     -8509.8578     -8509.8578      252.86621      252.86621      23684.85       23684.85       1031.0206      1031.0206    
    168000  -8448.6777     -8448.6777     -8514.0246     -8514.0246      252.89926      252.89926      23715.726      23715.726     -1895.0713     -1895.0713    
Loop time of 63.6657 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.357 ns/day, 17.685 hours/ns, 15.707 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.584     | 63.584     | 63.584     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014861   | 0.014861   | 0.014861   |   0.0 |  0.02
Output  | 4.242e-05  | 4.242e-05  | 4.242e-05  |   0.0 |  0.00
Modify  | 0.061704   | 0.061704   | 0.061704   |   0.0 |  0.10
Other   |            | 0.005149   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214374 ave      214374 max      214374 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214374
Ave neighs/atom = 107.187
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.764690637401, Press = -0.243958480004615
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8448.6777     -8448.6777     -8514.0246     -8514.0246      252.89926      252.89926      23715.726      23715.726     -1895.0713     -1895.0713    
    169000  -8446.8343     -8446.8343     -8512.4683     -8512.4683      254.01006      254.01006      23681.643      23681.643      769.5821       769.5821     
Loop time of 63.7108 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.697 hours/ns, 15.696 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.629     | 63.629     | 63.629     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014843   | 0.014843   | 0.014843   |   0.0 |  0.02
Output  | 4.2651e-05 | 4.2651e-05 | 4.2651e-05 |   0.0 |  0.00
Modify  | 0.06171    | 0.06171    | 0.06171    |   0.0 |  0.10
Other   |            | 0.005155   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214654 ave      214654 max      214654 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214654
Ave neighs/atom = 107.327
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.776864593184, Press = 0.573975901116061
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8446.8343     -8446.8343     -8512.4683     -8512.4683      254.01006      254.01006      23681.643      23681.643      769.5821       769.5821     
    170000  -8449.6519     -8449.6519     -8514.7334     -8514.7334      251.87203      251.87203      23679.069      23679.069      508.18161      508.18161    
Loop time of 63.6314 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.675 hours/ns, 15.716 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.55      | 63.55      | 63.55      |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014914   | 0.014914   | 0.014914   |   0.0 |  0.02
Output  | 4.0587e-05 | 4.0587e-05 | 4.0587e-05 |   0.0 |  0.00
Modify  | 0.061718   | 0.061718   | 0.061718   |   0.0 |  0.10
Other   |            | 0.005154   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214772 ave      214772 max      214772 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214772
Ave neighs/atom = 107.386
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.78125209477, Press = -0.303290528725231
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8449.6519     -8449.6519     -8514.7334     -8514.7334      251.87203      251.87203      23679.069      23679.069      508.18161      508.18161    
    171000  -8445.5453     -8445.5453     -8511.4206     -8511.4206      254.94458      254.94458      23710.931      23710.931     -1114.5257     -1114.5257    
Loop time of 63.7171 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.699 hours/ns, 15.694 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.635     | 63.635     | 63.635     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014864   | 0.014864   | 0.014864   |   0.0 |  0.02
Output  | 4.1127e-05 | 4.1127e-05 | 4.1127e-05 |   0.0 |  0.00
Modify  | 0.061685   | 0.061685   | 0.061685   |   0.0 |  0.10
Other   |            | 0.005183   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215022 ave      215022 max      215022 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215022
Ave neighs/atom = 107.511
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.784846832075, Press = 0.245823838494191
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8445.5453     -8445.5453     -8511.4206     -8511.4206      254.94458      254.94458      23710.931      23710.931     -1114.5257     -1114.5257    
    172000  -8449.1645     -8449.1645     -8513.2271     -8513.2271      247.92872      247.92872      23669.249      23669.249      1571.243       1571.243     
Loop time of 63.5158 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.360 ns/day, 17.643 hours/ns, 15.744 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.434     | 63.434     | 63.434     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014875   | 0.014875   | 0.014875   |   0.0 |  0.02
Output  | 2.665e-05  | 2.665e-05  | 2.665e-05  |   0.0 |  0.00
Modify  | 0.061658   | 0.061658   | 0.061658   |   0.0 |  0.10
Other   |            | 0.005155   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214346 ave      214346 max      214346 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214346
Ave neighs/atom = 107.173
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.782470420374, Press = -0.0141142032208124
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8449.1645     -8449.1645     -8513.2271     -8513.2271      247.92872      247.92872      23669.249      23669.249      1571.243       1571.243     
    173000  -8446.018      -8446.018      -8511.556      -8511.556       253.63881      253.63881      23724.553      23724.553     -1985.3938     -1985.3938    
Loop time of 63.6832 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.357 ns/day, 17.690 hours/ns, 15.703 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.601     | 63.601     | 63.601     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014956   | 0.014956   | 0.014956   |   0.0 |  0.02
Output  | 2.687e-05  | 2.687e-05  | 2.687e-05  |   0.0 |  0.00
Modify  | 0.061624   | 0.061624   | 0.061624   |   0.0 |  0.10
Other   |            | 0.005162   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215224 ave      215224 max      215224 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215224
Ave neighs/atom = 107.612
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.786572438248, Press = -0.00131792051443406
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8446.018      -8446.018      -8511.556      -8511.556       253.63881      253.63881      23724.553      23724.553     -1985.3938     -1985.3938    
    174000  -8444.046      -8444.046      -8513.0375     -8513.0375      267.00411      267.00411      23683.058      23683.058      885.43274      885.43274    
Loop time of 63.5495 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.360 ns/day, 17.653 hours/ns, 15.736 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.468     | 63.468     | 63.468     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014872   | 0.014872   | 0.014872   |   0.0 |  0.02
Output  | 2.628e-05  | 2.628e-05  | 2.628e-05  |   0.0 |  0.00
Modify  | 0.061651   | 0.061651   | 0.061651   |   0.0 |  0.10
Other   |            | 0.005129   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214316 ave      214316 max      214316 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214316
Ave neighs/atom = 107.158
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.788308028863, Press = 0.230445113701712
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8444.046      -8444.046      -8513.0375     -8513.0375      267.00411      267.00411      23683.058      23683.058      885.43274      885.43274    
    175000  -8447.7328     -8447.7328     -8513.6304     -8513.6304      255.03054      255.03054      23699.112      23699.112     -652.31763     -652.31763    
Loop time of 63.7233 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.701 hours/ns, 15.693 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.641     | 63.641     | 63.641     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014985   | 0.014985   | 0.014985   |   0.0 |  0.02
Output  | 2.634e-05  | 2.634e-05  | 2.634e-05  |   0.0 |  0.00
Modify  | 0.061679   | 0.061679   | 0.061679   |   0.0 |  0.10
Other   |            | 0.005153   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215084 ave      215084 max      215084 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215084
Ave neighs/atom = 107.542
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.802903537571, Press = -0.117924902359617
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.7328     -8447.7328     -8513.6304     -8513.6304      255.03054      255.03054      23699.112      23699.112     -652.31763     -652.31763    
    176000  -8444.5112     -8444.5112     -8511.2595     -8511.2595      258.323        258.323        23699.002      23699.002     -119.44208     -119.44208    
Loop time of 63.7155 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.699 hours/ns, 15.695 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.634     | 63.634     | 63.634     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014874   | 0.014874   | 0.014874   |   0.0 |  0.02
Output  | 2.676e-05  | 2.676e-05  | 2.676e-05  |   0.0 |  0.00
Modify  | 0.061688   | 0.061688   | 0.061688   |   0.0 |  0.10
Other   |            | 0.005165   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214914 ave      214914 max      214914 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214914
Ave neighs/atom = 107.457
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.808885185043, Press = 0.168330664813804
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8444.5112     -8444.5112     -8511.2595     -8511.2595      258.323        258.323        23699.002      23699.002     -119.44208     -119.44208    
    177000  -8447.2915     -8447.2915     -8512.1663     -8512.1663      251.07203      251.07203      23673.043      23673.043      1389.3004      1389.3004    
Loop time of 63.6442 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.679 hours/ns, 15.712 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.563     | 63.563     | 63.563     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014834   | 0.014834   | 0.014834   |   0.0 |  0.02
Output  | 2.637e-05  | 2.637e-05  | 2.637e-05  |   0.0 |  0.00
Modify  | 0.061658   | 0.061658   | 0.061658   |   0.0 |  0.10
Other   |            | 0.005168   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214608 ave      214608 max      214608 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214608
Ave neighs/atom = 107.304
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.813785548157, Press = -0.12951049654179
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.2915     -8447.2915     -8512.1663     -8512.1663      251.07203      251.07203      23673.043      23673.043      1389.3004      1389.3004    
    178000  -8445.4837     -8445.4837     -8511.1549     -8511.1549      254.15437      254.15437      23745.877      23745.877     -3597.1403     -3597.1403    
Loop time of 63.7757 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.355 ns/day, 17.715 hours/ns, 15.680 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.694     | 63.694     | 63.694     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014814   | 0.014814   | 0.014814   |   0.0 |  0.02
Output  | 2.6109e-05 | 2.6109e-05 | 2.6109e-05 |   0.0 |  0.00
Modify  | 0.061634   | 0.061634   | 0.061634   |   0.0 |  0.10
Other   |            | 0.005134   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215000 ave      215000 max      215000 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215000
Ave neighs/atom = 107.5
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.81313966037, Press = 0.192562333864142
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8445.4837     -8445.4837     -8511.1549     -8511.1549      254.15437      254.15437      23745.877      23745.877     -3597.1403     -3597.1403    
    179000  -8445.0938     -8445.0938     -8511.008      -8511.008       255.09456      255.09456      23645.404      23645.404      3605.9161      3605.9161    
Loop time of 63.4192 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.362 ns/day, 17.616 hours/ns, 15.768 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.337     | 63.337     | 63.337     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01487    | 0.01487    | 0.01487    |   0.0 |  0.02
Output  | 2.7422e-05 | 2.7422e-05 | 2.7422e-05 |   0.0 |  0.00
Modify  | 0.061672   | 0.061672   | 0.061672   |   0.0 |  0.10
Other   |            | 0.005163   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       213854 ave      213854 max      213854 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 213854
Ave neighs/atom = 106.927
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.821946192003, Press = 0.0987339611005384
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8445.0938     -8445.0938     -8511.008      -8511.008       255.09456      255.09456      23645.404      23645.404      3605.9161      3605.9161    
    180000  -8446.5701     -8446.5701     -8512.7487     -8512.7487      256.11811      256.11811      23719.176      23719.176     -1895.5331     -1895.5331    
Loop time of 63.7686 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.355 ns/day, 17.714 hours/ns, 15.682 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.687     | 63.687     | 63.687     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014931   | 0.014931   | 0.014931   |   0.0 |  0.02
Output  | 2.6721e-05 | 2.6721e-05 | 2.6721e-05 |   0.0 |  0.00
Modify  | 0.061589   | 0.061589   | 0.061589   |   0.0 |  0.10
Other   |            | 0.005158   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215336 ave      215336 max      215336 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215336
Ave neighs/atom = 107.668
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.830105444283, Press = -0.0981258657299022
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8446.5701     -8446.5701     -8512.7487     -8512.7487      256.11811      256.11811      23719.176      23719.176     -1895.5331     -1895.5331    
    181000  -8449.479      -8449.479      -8513.8062     -8513.8062      248.95319      248.95319      23671.748      23671.748      1125.8526      1125.8526    
Loop time of 63.6514 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.357 ns/day, 17.681 hours/ns, 15.711 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.57      | 63.57      | 63.57      |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014846   | 0.014846   | 0.014846   |   0.0 |  0.02
Output  | 2.654e-05  | 2.654e-05  | 2.654e-05  |   0.0 |  0.00
Modify  | 0.061624   | 0.061624   | 0.061624   |   0.0 |  0.10
Other   |            | 0.00515    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214260 ave      214260 max      214260 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214260
Ave neighs/atom = 107.13
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.834645907163, Press = 0.28279144583574
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8449.479      -8449.479      -8513.8062     -8513.8062      248.95319      248.95319      23671.748      23671.748      1125.8526      1125.8526    
    182000  -8446.2414     -8446.2414     -8514.0244     -8514.0244      262.32727      262.32727      23699.797      23699.797     -677.04899     -677.04899    
Loop time of 63.7375 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.705 hours/ns, 15.689 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.656     | 63.656     | 63.656     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014819   | 0.014819   | 0.014819   |   0.0 |  0.02
Output  | 2.6581e-05 | 2.6581e-05 | 2.6581e-05 |   0.0 |  0.00
Modify  | 0.061601   | 0.061601   | 0.061601   |   0.0 |  0.10
Other   |            | 0.005148   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215134 ave      215134 max      215134 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215134
Ave neighs/atom = 107.567
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.829165651721, Press = -0.237923743779861
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8446.2414     -8446.2414     -8514.0244     -8514.0244      262.32727      262.32727      23699.797      23699.797     -677.04899     -677.04899    
    183000  -8451.0932     -8451.0932     -8514.6056     -8514.6056      245.79973      245.79973      23703.722      23703.722     -1223.014      -1223.014     
Loop time of 63.7301 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.703 hours/ns, 15.691 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.648     | 63.648     | 63.648     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014942   | 0.014942   | 0.014942   |   0.0 |  0.02
Output  | 2.664e-05  | 2.664e-05  | 2.664e-05  |   0.0 |  0.00
Modify  | 0.061644   | 0.061644   | 0.061644   |   0.0 |  0.10
Other   |            | 0.005158   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214768 ave      214768 max      214768 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214768
Ave neighs/atom = 107.384
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.8191987356, Press = 0.405025119296393
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8451.0932     -8451.0932     -8514.6056     -8514.6056      245.79973      245.79973      23703.722      23703.722     -1223.014      -1223.014     
    184000  -8447.2966     -8447.2966     -8513.4292     -8513.4292      255.94009      255.94009      23652.333      23652.333      2585.21        2585.21      
Loop time of 63.6657 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.357 ns/day, 17.685 hours/ns, 15.707 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.584     | 63.584     | 63.584     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014894   | 0.014894   | 0.014894   |   0.0 |  0.02
Output  | 2.658e-05  | 2.658e-05  | 2.658e-05  |   0.0 |  0.00
Modify  | 0.061694   | 0.061694   | 0.061694   |   0.0 |  0.10
Other   |            | 0.005156   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215010 ave      215010 max      215010 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215010
Ave neighs/atom = 107.505
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.814244854997, Press = -0.0942882129653799
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.2966     -8447.2966     -8513.4292     -8513.4292      255.94009      255.94009      23652.333      23652.333      2585.21        2585.21      
    185000  -8447.5627     -8447.5627     -8511.9337     -8511.9337      249.12217      249.12217      23716.278      23716.278     -1680.5147     -1680.5147    
Loop time of 63.6286 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.675 hours/ns, 15.716 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.547     | 63.547     | 63.547     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014937   | 0.014937   | 0.014937   |   0.0 |  0.02
Output  | 2.6981e-05 | 2.6981e-05 | 2.6981e-05 |   0.0 |  0.00
Modify  | 0.061687   | 0.061687   | 0.061687   |   0.0 |  0.10
Other   |            | 0.005175   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215118 ave      215118 max      215118 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215118
Ave neighs/atom = 107.559
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.820328787403, Press = 0.0229306523290163
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.5627     -8447.5627     -8511.9337     -8511.9337      249.12217      249.12217      23716.278      23716.278     -1680.5147     -1680.5147    
    186000  -8447.0057     -8447.0057     -8512.5114     -8512.5114      253.51368      253.51368      23686.652      23686.652      412.65486      412.65486    
Loop time of 63.6351 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.676 hours/ns, 15.715 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.553     | 63.553     | 63.553     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014933   | 0.014933   | 0.014933   |   0.0 |  0.02
Output  | 2.7101e-05 | 2.7101e-05 | 2.7101e-05 |   0.0 |  0.00
Modify  | 0.0617     | 0.0617     | 0.0617     |   0.0 |  0.10
Other   |            | 0.00516    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214312 ave      214312 max      214312 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214312
Ave neighs/atom = 107.156
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.819758291553, Press = 0.131165175598981
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.0057     -8447.0057     -8512.5114     -8512.5114      253.51368      253.51368      23686.652      23686.652      412.65486      412.65486    
    187000  -8447.7356     -8447.7356     -8511.6617     -8511.6617      247.40054      247.40054      23692.787      23692.787      112.50439      112.50439    
Loop time of 63.6036 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.668 hours/ns, 15.722 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.522     | 63.522     | 63.522     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014869   | 0.014869   | 0.014869   |   0.0 |  0.02
Output  | 2.616e-05  | 2.616e-05  | 2.616e-05  |   0.0 |  0.00
Modify  | 0.061609   | 0.061609   | 0.061609   |   0.0 |  0.10
Other   |            | 0.005154   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214926 ave      214926 max      214926 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214926
Ave neighs/atom = 107.463
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.820574198082, Press = -0.0273731760485098
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.7356     -8447.7356     -8511.6617     -8511.6617      247.40054      247.40054      23692.787      23692.787      112.50439      112.50439    
    188000  -8449.1738     -8449.1738     -8512.0811     -8512.0811      243.45766      243.45766      23691.901      23691.901      3.6280453      3.6280453    
Loop time of 63.7338 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.704 hours/ns, 15.690 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.652     | 63.652     | 63.652     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014888   | 0.014888   | 0.014888   |   0.0 |  0.02
Output  | 2.626e-05  | 2.626e-05  | 2.626e-05  |   0.0 |  0.00
Modify  | 0.061657   | 0.061657   | 0.061657   |   0.0 |  0.10
Other   |            | 0.005165   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214942 ave      214942 max      214942 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214942
Ave neighs/atom = 107.471
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.808265131612, Press = 0.321653932519735
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8449.1738     -8449.1738     -8512.0811     -8512.0811      243.45766      243.45766      23691.901      23691.901      3.6280453      3.6280453    
    189000  -8447.7331     -8447.7331     -8513.0618     -8513.0618      252.82878      252.82878      23663.483      23663.483      1887.5027      1887.5027    
Loop time of 63.7416 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.355 ns/day, 17.706 hours/ns, 15.688 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.66      | 63.66      | 63.66      |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014891   | 0.014891   | 0.014891   |   0.0 |  0.02
Output  | 2.646e-05  | 2.646e-05  | 2.646e-05  |   0.0 |  0.00
Modify  | 0.061672   | 0.061672   | 0.061672   |   0.0 |  0.10
Other   |            | 0.005151   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214710 ave      214710 max      214710 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214710
Ave neighs/atom = 107.355
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.805572806815, Press = -0.314869177777996
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.7331     -8447.7331     -8513.0618     -8513.0618      252.82878      252.82878      23663.483      23663.483      1887.5027      1887.5027    
    190000  -8450.8648     -8450.8648     -8515.8884     -8515.8884      251.64793      251.64793      23724.227      23724.227     -2894.6118     -2894.6118    
Loop time of 63.6756 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.357 ns/day, 17.688 hours/ns, 15.705 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.594     | 63.594     | 63.594     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014938   | 0.014938   | 0.014938   |   0.0 |  0.02
Output  | 2.678e-05  | 2.678e-05  | 2.678e-05  |   0.0 |  0.00
Modify  | 0.061651   | 0.061651   | 0.061651   |   0.0 |  0.10
Other   |            | 0.005166   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214970 ave      214970 max      214970 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214970
Ave neighs/atom = 107.485
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.789557774939, Press = 0.167775978236219
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8450.8648     -8450.8648     -8515.8884     -8515.8884      251.64793      251.64793      23724.227      23724.227     -2894.6118     -2894.6118    
    191000  -8447.0787     -8447.0787     -8511.8605     -8511.8605      250.71249      250.71249      23670.665      23670.665      1592.738       1592.738     
Loop time of 63.7082 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.697 hours/ns, 15.697 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.626     | 63.626     | 63.626     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014879   | 0.014879   | 0.014879   |   0.0 |  0.02
Output  | 2.664e-05  | 2.664e-05  | 2.664e-05  |   0.0 |  0.00
Modify  | 0.061647   | 0.061647   | 0.061647   |   0.0 |  0.10
Other   |            | 0.005172   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214836 ave      214836 max      214836 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214836
Ave neighs/atom = 107.418
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.786562216235, Press = 0.199617389968969
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.0787     -8447.0787     -8511.8605     -8511.8605      250.71249      250.71249      23670.665      23670.665      1592.738       1592.738     
    192000  -8445.9454     -8445.9454     -8512.6079     -8512.6079      257.99107      257.99107      23698.67       23698.67      -367.47129     -367.47129    
Loop time of 63.7801 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.355 ns/day, 17.717 hours/ns, 15.679 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.698     | 63.698     | 63.698     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01484    | 0.01484    | 0.01484    |   0.0 |  0.02
Output  | 2.638e-05  | 2.638e-05  | 2.638e-05  |   0.0 |  0.00
Modify  | 0.06166    | 0.06166    | 0.06166    |   0.0 |  0.10
Other   |            | 0.005163   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215006 ave      215006 max      215006 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215006
Ave neighs/atom = 107.503
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.781083098819, Press = -0.109931290797721
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8445.9454     -8445.9454     -8512.6079     -8512.6079      257.99107      257.99107      23698.67       23698.67      -367.47129     -367.47129    
    193000  -8448.5639     -8448.5639     -8513.8295     -8513.8295      252.58486      252.58486      23701.826      23701.826     -890.34042     -890.34042    
Loop time of 63.6837 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.357 ns/day, 17.690 hours/ns, 15.703 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.602     | 63.602     | 63.602     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014917   | 0.014917   | 0.014917   |   0.0 |  0.02
Output  | 2.63e-05   | 2.63e-05   | 2.63e-05   |   0.0 |  0.00
Modify  | 0.061674   | 0.061674   | 0.061674   |   0.0 |  0.10
Other   |            | 0.005165   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214808 ave      214808 max      214808 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214808
Ave neighs/atom = 107.404
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.786604917109, Press = 0.134750389884938
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8448.5639     -8448.5639     -8513.8295     -8513.8295      252.58486      252.58486      23701.826      23701.826     -890.34042     -890.34042    
    194000  -8446.5297     -8446.5297     -8511.5557     -8511.5557      251.6575       251.6575       23652.324      23652.324      3007.5994      3007.5994    
Loop time of 63.5736 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.359 ns/day, 17.659 hours/ns, 15.730 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.492     | 63.492     | 63.492     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014831   | 0.014831   | 0.014831   |   0.0 |  0.02
Output  | 2.67e-05   | 2.67e-05   | 2.67e-05   |   0.0 |  0.00
Modify  | 0.061612   | 0.061612   | 0.061612   |   0.0 |  0.10
Other   |            | 0.005164   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214648 ave      214648 max      214648 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214648
Ave neighs/atom = 107.324
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.800025566663, Press = -0.110732760930479
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8446.5297     -8446.5297     -8511.5557     -8511.5557      251.6575       251.6575       23652.324      23652.324      3007.5994      3007.5994    
    195000  -8446.906      -8446.906      -8512.1289     -8512.1289      252.41955      252.41955      23733.514      23733.514     -2867.5954     -2867.5954    
Loop time of 63.7196 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.700 hours/ns, 15.694 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.638     | 63.638     | 63.638     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014919   | 0.014919   | 0.014919   |   0.0 |  0.02
Output  | 2.6791e-05 | 2.6791e-05 | 2.6791e-05 |   0.0 |  0.00
Modify  | 0.0616     | 0.0616     | 0.0616     |   0.0 |  0.10
Other   |            | 0.005166   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215008 ave      215008 max      215008 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215008
Ave neighs/atom = 107.504
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.808517900023, Press = 0.0746201237603564
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8446.906      -8446.906      -8512.1289     -8512.1289      252.41955      252.41955      23733.514      23733.514     -2867.5954     -2867.5954    
    196000  -8447.2499     -8447.2499     -8512.2135     -8512.2135      251.41578      251.41578      23667.431      23667.431      1715.6665      1715.6665    
Loop time of 63.6318 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.676 hours/ns, 15.715 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.55      | 63.55      | 63.55      |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014835   | 0.014835   | 0.014835   |   0.0 |  0.02
Output  | 2.6089e-05 | 2.6089e-05 | 2.6089e-05 |   0.0 |  0.00
Modify  | 0.061735   | 0.061735   | 0.061735   |   0.0 |  0.10
Other   |            | 0.005148   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214456 ave      214456 max      214456 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214456
Ave neighs/atom = 107.228
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.819103551932, Press = 0.163002131889675
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.2499     -8447.2499     -8512.2135     -8512.2135      251.41578      251.41578      23667.431      23667.431      1715.6665      1715.6665    
    197000  -8443.3338     -8443.3338     -8509.6267     -8509.6267      256.56032      256.56032      23713.891      23713.891     -961.96856     -961.96856    
Loop time of 63.7573 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.355 ns/day, 17.710 hours/ns, 15.684 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.676     | 63.676     | 63.676     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014823   | 0.014823   | 0.014823   |   0.0 |  0.02
Output  | 2.6269e-05 | 2.6269e-05 | 2.6269e-05 |   0.0 |  0.00
Modify  | 0.061685   | 0.061685   | 0.061685   |   0.0 |  0.10
Other   |            | 0.005153   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215266 ave      215266 max      215266 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215266
Ave neighs/atom = 107.633
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.826777553764, Press = -0.0536456291775104
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8443.3338     -8443.3338     -8509.6267     -8509.6267      256.56032      256.56032      23713.891      23713.891     -961.96856     -961.96856    
    198000  -8448.9365     -8448.9365     -8512.8356     -8512.8356      247.29633      247.29633      23676.109      23676.109      983.02689      983.02689    
Loop time of 63.5315 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.360 ns/day, 17.648 hours/ns, 15.740 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.45      | 63.45      | 63.45      |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014829   | 0.014829   | 0.014829   |   0.0 |  0.02
Output  | 2.663e-05  | 2.663e-05  | 2.663e-05  |   0.0 |  0.00
Modify  | 0.061681   | 0.061681   | 0.061681   |   0.0 |  0.10
Other   |            | 0.005161   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214340 ave      214340 max      214340 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214340
Ave neighs/atom = 107.17
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.83582022405, Press = 0.297627180055563
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8448.9365     -8448.9365     -8512.8356     -8512.8356      247.29633      247.29633      23676.109      23676.109      983.02689      983.02689    
    199000  -8446.8936     -8446.8936     -8511.7071     -8511.7071      250.8349       250.8349       23683.99       23683.99       541.6156       541.6156     
Loop time of 63.6164 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.671 hours/ns, 15.719 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.535     | 63.535     | 63.535     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014823   | 0.014823   | 0.014823   |   0.0 |  0.02
Output  | 2.634e-05  | 2.634e-05  | 2.634e-05  |   0.0 |  0.00
Modify  | 0.061678   | 0.061678   | 0.061678   |   0.0 |  0.10
Other   |            | 0.005161   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214782 ave      214782 max      214782 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214782
Ave neighs/atom = 107.391
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.848023638246, Press = -0.126465068132609
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8446.8936     -8446.8936     -8511.7071     -8511.7071      250.8349       250.8349       23683.99       23683.99       541.6156       541.6156     
    200000  -8449.448      -8449.448      -8512.7901     -8512.7901      245.14047      245.14047      23694.45       23694.45      -309.1593      -309.1593     
Loop time of 63.721 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.700 hours/ns, 15.693 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.639     | 63.639     | 63.639     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014945   | 0.014945   | 0.014945   |   0.0 |  0.02
Output  | 2.6951e-05 | 2.6951e-05 | 2.6951e-05 |   0.0 |  0.00
Modify  | 0.061673   | 0.061673   | 0.061673   |   0.0 |  0.10
Other   |            | 0.00515    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214646 ave      214646 max      214646 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214646
Ave neighs/atom = 107.323
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.852300760448, Press = 0.0895921484445468
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8449.448      -8449.448      -8512.7901     -8512.7901      245.14047      245.14047      23694.45       23694.45      -309.1593      -309.1593     
    201000  -8446.0745     -8446.0745     -8513.0391     -8513.0391      259.15973      259.15973      23684.158      23684.158      525.47814      525.47814    
Loop time of 63.812 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.354 ns/day, 17.726 hours/ns, 15.671 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.73      | 63.73      | 63.73      |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01485    | 0.01485    | 0.01485    |   0.0 |  0.02
Output  | 2.7432e-05 | 2.7432e-05 | 2.7432e-05 |   0.0 |  0.00
Modify  | 0.061676   | 0.061676   | 0.061676   |   0.0 |  0.10
Other   |            | 0.00515    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215122 ave      215122 max      215122 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215122
Ave neighs/atom = 107.561
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.850900455003, Press = -0.00567443720468993
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8446.0745     -8446.0745     -8513.0391     -8513.0391      259.15973      259.15973      23684.158      23684.158      525.47814      525.47814    
    202000  -8449.3838     -8449.3838     -8513.2554     -8513.2554      247.18973      247.18973      23710.257      23710.257     -1539.8151     -1539.8151    
Loop time of 63.6644 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.357 ns/day, 17.685 hours/ns, 15.707 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.583     | 63.583     | 63.583     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014886   | 0.014886   | 0.014886   |   0.0 |  0.02
Output  | 2.672e-05  | 2.672e-05  | 2.672e-05  |   0.0 |  0.00
Modify  | 0.061691   | 0.061691   | 0.061691   |   0.0 |  0.10
Other   |            | 0.005157   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215076 ave      215076 max      215076 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215076
Ave neighs/atom = 107.538
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.849830508458, Press = 0.135539226336192
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8449.3838     -8449.3838     -8513.2554     -8513.2554      247.18973      247.18973      23710.257      23710.257     -1539.8151     -1539.8151    
    203000  -8446.653      -8446.653      -8512.8329     -8512.8329      256.12329      256.12329      23643.828      23643.828      3347.5056      3347.5056    
Loop time of 63.7484 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.355 ns/day, 17.708 hours/ns, 15.687 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.667     | 63.667     | 63.667     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014901   | 0.014901   | 0.014901   |   0.0 |  0.02
Output  | 2.7202e-05 | 2.7202e-05 | 2.7202e-05 |   0.0 |  0.00
Modify  | 0.061615   | 0.061615   | 0.061615   |   0.0 |  0.10
Other   |            | 0.005163   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214464 ave      214464 max      214464 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214464
Ave neighs/atom = 107.232
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.848581092625, Press = 0.0282188060133803
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8446.653      -8446.653      -8512.8329     -8512.8329      256.12329      256.12329      23643.828      23643.828      3347.5056      3347.5056    
    204000  -8447.9391     -8447.9391     -8512.5708     -8512.5708      250.13131      250.13131      23733.137      23733.137     -3029.6791     -3029.6791    
Loop time of 63.8481 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.353 ns/day, 17.736 hours/ns, 15.662 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.766     | 63.766     | 63.766     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014918   | 0.014918   | 0.014918   |   0.0 |  0.02
Output  | 2.7903e-05 | 2.7903e-05 | 2.7903e-05 |   0.0 |  0.00
Modify  | 0.061665   | 0.061665   | 0.061665   |   0.0 |  0.10
Other   |            | 0.005167   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215454 ave      215454 max      215454 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215454
Ave neighs/atom = 107.727
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.853688759606, Press = -0.0502773434006562
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.9391     -8447.9391     -8512.5708     -8512.5708      250.13131      250.13131      23733.137      23733.137     -3029.6791     -3029.6791    
    205000  -8445.8782     -8445.8782     -8511.381      -8511.381       253.50277      253.50277      23670.511      23670.511      1775.3836      1775.3836    
Loop time of 63.6014 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.667 hours/ns, 15.723 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.52      | 63.52      | 63.52      |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014857   | 0.014857   | 0.014857   |   0.0 |  0.02
Output  | 2.647e-05  | 2.647e-05  | 2.647e-05  |   0.0 |  0.00
Modify  | 0.06166    | 0.06166    | 0.06166    |   0.0 |  0.10
Other   |            | 0.005162   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214284 ave      214284 max      214284 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214284
Ave neighs/atom = 107.142
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.851857231799, Press = 0.185860274464182
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8445.8782     -8445.8782     -8511.381      -8511.381       253.50277      253.50277      23670.511      23670.511      1775.3836      1775.3836    
    206000  -8449.4981     -8449.4981     -8513.819      -8513.819       248.92882      248.92882      23698.633      23698.633     -732.8332      -732.8332     
Loop time of 63.7299 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.703 hours/ns, 15.691 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.648     | 63.648     | 63.648     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014857   | 0.014857   | 0.014857   |   0.0 |  0.02
Output  | 2.648e-05  | 2.648e-05  | 2.648e-05  |   0.0 |  0.00
Modify  | 0.061678   | 0.061678   | 0.061678   |   0.0 |  0.10
Other   |            | 0.00517    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214998 ave      214998 max      214998 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214998
Ave neighs/atom = 107.499
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.842391814614, Press = -0.0959282077321159
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8449.4981     -8449.4981     -8513.819      -8513.819       248.92882      248.92882      23698.633      23698.633     -732.8332      -732.8332     
    207000  -8446.3604     -8446.3604     -8512.121      -8512.121       254.50043      254.50043      23693.706      23693.706      16.133299      16.133299    
Loop time of 63.6101 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.669 hours/ns, 15.721 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.528     | 63.528     | 63.528     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014902   | 0.014902   | 0.014902   |   0.0 |  0.02
Output  | 2.638e-05  | 2.638e-05  | 2.638e-05  |   0.0 |  0.00
Modify  | 0.06165    | 0.06165    | 0.06165    |   0.0 |  0.10
Other   |            | 0.005148   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214846 ave      214846 max      214846 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214846
Ave neighs/atom = 107.423
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.837956716969, Press = 0.178857018113145
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8446.3604     -8446.3604     -8512.121      -8512.121       254.50043      254.50043      23693.706      23693.706      16.133299      16.133299    
    208000  -8447.9152     -8447.9152     -8514.2981     -8514.2981      256.90869      256.90869      23689.119      23689.119     -68.207849     -68.207849    
Loop time of 63.7188 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.700 hours/ns, 15.694 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.637     | 63.637     | 63.637     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014864   | 0.014864   | 0.014864   |   0.0 |  0.02
Output  | 2.6851e-05 | 2.6851e-05 | 2.6851e-05 |   0.0 |  0.00
Modify  | 0.061652   | 0.061652   | 0.061652   |   0.0 |  0.10
Other   |            | 0.00515    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214908 ave      214908 max      214908 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214908
Ave neighs/atom = 107.454
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.831264688354, Press = -0.0768648834874515
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.9152     -8447.9152     -8514.2981     -8514.2981      256.90869      256.90869      23689.119      23689.119     -68.207849     -68.207849    
    209000  -8446.6304     -8446.6304     -8512.4809     -8512.4809      254.84831      254.84831      23706.213      23706.213     -1109.5893     -1109.5893    
Loop time of 63.6953 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.693 hours/ns, 15.700 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.614     | 63.614     | 63.614     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014832   | 0.014832   | 0.014832   |   0.0 |  0.02
Output  | 2.65e-05   | 2.65e-05   | 2.65e-05   |   0.0 |  0.00
Modify  | 0.061694   | 0.061694   | 0.061694   |   0.0 |  0.10
Other   |            | 0.005135   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215134 ave      215134 max      215134 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215134
Ave neighs/atom = 107.567
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.831747543268, Press = 0.26609238355188
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8446.6304     -8446.6304     -8512.4809     -8512.4809      254.84831      254.84831      23706.213      23706.213     -1109.5893     -1109.5893    
    210000  -8448.8576     -8448.8576     -8512.4421     -8512.4421      246.0786       246.0786       23657.884      23657.884      2385.4725      2385.4725    
Loop time of 63.7732 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.355 ns/day, 17.715 hours/ns, 15.681 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.692     | 63.692     | 63.692     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014826   | 0.014826   | 0.014826   |   0.0 |  0.02
Output  | 2.654e-05  | 2.654e-05  | 2.654e-05  |   0.0 |  0.00
Modify  | 0.06169    | 0.06169    | 0.06169    |   0.0 |  0.10
Other   |            | 0.005155   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214700 ave      214700 max      214700 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214700
Ave neighs/atom = 107.35
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.822317498938, Press = -0.129008422604112
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8448.8576     -8448.8576     -8512.4421     -8512.4421      246.0786       246.0786       23657.884      23657.884      2385.4725      2385.4725    
    211000  -8445.8079     -8445.8079     -8510.92       -8510.92        251.99049      251.99049      23722.269      23722.269     -1859.8499     -1859.8499    
Loop time of 63.9587 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.351 ns/day, 17.766 hours/ns, 15.635 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.877     | 63.877     | 63.877     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014862   | 0.014862   | 0.014862   |   0.0 |  0.02
Output  | 2.7302e-05 | 2.7302e-05 | 2.7302e-05 |   0.0 |  0.00
Modify  | 0.061666   | 0.061666   | 0.061666   |   0.0 |  0.10
Other   |            | 0.00518    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215380 ave      215380 max      215380 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215380
Ave neighs/atom = 107.69
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.819550202691, Press = 0.166458619361463
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8445.8079     -8445.8079     -8510.92       -8510.92        251.99049      251.99049      23722.269      23722.269     -1859.8499     -1859.8499    
    212000  -8447.9244     -8447.9244     -8513.8501     -8513.8501      255.13943      255.13943      23662.441      23662.441      1868.7072      1868.7072    
Loop time of 63.6169 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.671 hours/ns, 15.719 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.535     | 63.535     | 63.535     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014951   | 0.014951   | 0.014951   |   0.0 |  0.02
Output  | 2.668e-05  | 2.668e-05  | 2.668e-05  |   0.0 |  0.00
Modify  | 0.061731   | 0.061731   | 0.061731   |   0.0 |  0.10
Other   |            | 0.005166   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214342 ave      214342 max      214342 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214342
Ave neighs/atom = 107.171
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.816347506282, Press = 0.0491383411453819
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.9244     -8447.9244     -8513.8501     -8513.8501      255.13943      255.13943      23662.441      23662.441      1868.7072      1868.7072    
    213000  -8447.7922     -8447.7922     -8512.9626     -8512.9626      252.21613      252.21613      23700.507      23700.507     -649.55189     -649.55189    
Loop time of 63.7229 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.701 hours/ns, 15.693 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.641     | 63.641     | 63.641     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014867   | 0.014867   | 0.014867   |   0.0 |  0.02
Output  | 2.638e-05  | 2.638e-05  | 2.638e-05  |   0.0 |  0.00
Modify  | 0.061722   | 0.061722   | 0.061722   |   0.0 |  0.10
Other   |            | 0.005153   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215270 ave      215270 max      215270 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215270
Ave neighs/atom = 107.635
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.818145300022, Press = -0.0218483120785055
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.7922     -8447.7922     -8512.9626     -8512.9626      252.21613      252.21613      23700.507      23700.507     -649.55189     -649.55189    
    214000  -8449.1259     -8449.1259     -8514.9801     -8514.9801      254.86221      254.86221      23689.982      23689.982     -370.75316     -370.75316    
Loop time of 63.7359 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.704 hours/ns, 15.690 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.654     | 63.654     | 63.654     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014884   | 0.014884   | 0.014884   |   0.0 |  0.02
Output  | 2.9075e-05 | 2.9075e-05 | 2.9075e-05 |   0.0 |  0.00
Modify  | 0.061691   | 0.061691   | 0.061691   |   0.0 |  0.10
Other   |            | 0.005164   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214782 ave      214782 max      214782 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214782
Ave neighs/atom = 107.391
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.80859037493, Press = 0.0734998073977939
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8449.1259     -8449.1259     -8514.9801     -8514.9801      254.86221      254.86221      23689.982      23689.982     -370.75316     -370.75316    
    215000  -8446.4724     -8446.4724     -8511.624      -8511.624       252.14331      252.14331      23688.627      23688.627      377.56362      377.56362    
Loop time of 63.8237 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.354 ns/day, 17.729 hours/ns, 15.668 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.742     | 63.742     | 63.742     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014921   | 0.014921   | 0.014921   |   0.0 |  0.02
Output  | 2.9285e-05 | 2.9285e-05 | 2.9285e-05 |   0.0 |  0.00
Modify  | 0.061719   | 0.061719   | 0.061719   |   0.0 |  0.10
Other   |            | 0.005165   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215358 ave      215358 max      215358 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215358
Ave neighs/atom = 107.679
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.806417100565, Press = 0.0269031366874103
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8446.4724     -8446.4724     -8511.624      -8511.624       252.14331      252.14331      23688.627      23688.627      377.56362      377.56362    
    216000  -8447.5624     -8447.5624     -8513.6154     -8513.6154      255.63209      255.63209      23706.647      23706.647     -1266.7146     -1266.7146    
Loop time of 63.6829 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.357 ns/day, 17.690 hours/ns, 15.703 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.601     | 63.601     | 63.601     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014857   | 0.014857   | 0.014857   |   0.0 |  0.02
Output  | 2.8574e-05 | 2.8574e-05 | 2.8574e-05 |   0.0 |  0.00
Modify  | 0.061768   | 0.061768   | 0.061768   |   0.0 |  0.10
Other   |            | 0.005172   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214784 ave      214784 max      214784 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214784
Ave neighs/atom = 107.392
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.808442869307, Press = 0.0032923041551157
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.5624     -8447.5624     -8513.6154     -8513.6154      255.63209      255.63209      23706.647      23706.647     -1266.7146     -1266.7146    
    217000  -8444.8545     -8444.8545     -8511.3657     -8511.3657      257.40495      257.40495      23677.089      23677.089      1197.1607      1197.1607    
Loop time of 63.8171 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.354 ns/day, 17.727 hours/ns, 15.670 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.735     | 63.735     | 63.735     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014895   | 0.014895   | 0.014895   |   0.0 |  0.02
Output  | 5.3832e-05 | 5.3832e-05 | 5.3832e-05 |   0.0 |  0.00
Modify  | 0.061835   | 0.061835   | 0.061835   |   0.0 |  0.10
Other   |            | 0.005159   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214980 ave      214980 max      214980 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214980
Ave neighs/atom = 107.49
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.817931463569, Press = 0.174112283109618
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8444.8545     -8444.8545     -8511.3657     -8511.3657      257.40495      257.40495      23677.089      23677.089      1197.1607      1197.1607    
    218000  -8448.3095     -8448.3095     -8513.8799     -8513.8799      253.76431      253.76431      23700.347      23700.347     -908.92039     -908.92039    
Loop time of 63.5406 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.360 ns/day, 17.650 hours/ns, 15.738 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.459     | 63.459     | 63.459     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014901   | 0.014901   | 0.014901   |   0.0 |  0.02
Output  | 3.0338e-05 | 3.0338e-05 | 3.0338e-05 |   0.0 |  0.00
Modify  | 0.061774   | 0.061774   | 0.061774   |   0.0 |  0.10
Other   |            | 0.005174   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214886 ave      214886 max      214886 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214886
Ave neighs/atom = 107.443
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.826801713277, Press = -0.210285845718126
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8448.3095     -8448.3095     -8513.8799     -8513.8799      253.76431      253.76431      23700.347      23700.347     -908.92039     -908.92039    
    219000  -8446.9249     -8446.9249     -8513.083      -8513.083       256.03877      256.03877      23689.845      23689.845      79.29077       79.29077     
Loop time of 63.7695 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.355 ns/day, 17.714 hours/ns, 15.681 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.688     | 63.688     | 63.688     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014882   | 0.014882   | 0.014882   |   0.0 |  0.02
Output  | 2.9826e-05 | 2.9826e-05 | 2.9826e-05 |   0.0 |  0.00
Modify  | 0.061708   | 0.061708   | 0.061708   |   0.0 |  0.10
Other   |            | 0.00516    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214946 ave      214946 max      214946 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214946
Ave neighs/atom = 107.473
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.829389524441, Press = 0.324534062268482
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8446.9249     -8446.9249     -8513.083      -8513.083       256.03877      256.03877      23689.845      23689.845      79.29077       79.29077     
    220000  -8448.3238     -8448.3238     -8512.5622     -8512.5622      248.60929      248.60929      23667.608      23667.608      1723.3759      1723.3759    
Loop time of 63.7526 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.355 ns/day, 17.709 hours/ns, 15.686 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.671     | 63.671     | 63.671     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014869   | 0.014869   | 0.014869   |   0.0 |  0.02
Output  | 2.8083e-05 | 2.8083e-05 | 2.8083e-05 |   0.0 |  0.00
Modify  | 0.061742   | 0.061742   | 0.061742   |   0.0 |  0.10
Other   |            | 0.005169   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215256 ave      215256 max      215256 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215256
Ave neighs/atom = 107.628
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.828423649223, Press = -0.36201889649142
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8448.3238     -8448.3238     -8512.5622     -8512.5622      248.60929      248.60929      23667.608      23667.608      1723.3759      1723.3759    
    221000  -8449.4753     -8449.4753     -8513.8866     -8513.8866      249.27832      249.27832      23710.987      23710.987     -1614.8499     -1614.8499    
Loop time of 63.941 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.351 ns/day, 17.761 hours/ns, 15.639 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.859     | 63.859     | 63.859     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014897   | 0.014897   | 0.014897   |   0.0 |  0.02
Output  | 2.8835e-05 | 2.8835e-05 | 2.8835e-05 |   0.0 |  0.00
Modify  | 0.061782   | 0.061782   | 0.061782   |   0.0 |  0.10
Other   |            | 0.005173   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215288 ave      215288 max      215288 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215288
Ave neighs/atom = 107.644
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.81681535968, Press = 0.216556316500321
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8449.4753     -8449.4753     -8513.8866     -8513.8866      249.27832      249.27832      23710.987      23710.987     -1614.8499     -1614.8499    
    222000  -8446.6797     -8446.6797     -8513.0139     -8513.0139      256.72006      256.72006      23679.521      23679.521      850.16265      850.16265    
Loop time of 63.8395 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.353 ns/day, 17.733 hours/ns, 15.664 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.758     | 63.758     | 63.758     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01487    | 0.01487    | 0.01487    |   0.0 |  0.02
Output  | 2.9124e-05 | 2.9124e-05 | 2.9124e-05 |   0.0 |  0.00
Modify  | 0.061721   | 0.061721   | 0.061721   |   0.0 |  0.10
Other   |            | 0.005156   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214904 ave      214904 max      214904 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214904
Ave neighs/atom = 107.452
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.813840408422, Press = -0.0374809432832495
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8446.6797     -8446.6797     -8513.0139     -8513.0139      256.72006      256.72006      23679.521      23679.521      850.16265      850.16265    
    223000  -8444.9263     -8444.9263     -8510.2519     -8510.2519      252.8171       252.8171       23719.433      23719.433     -1534.2084     -1534.2084    
Loop time of 63.8674 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.353 ns/day, 17.741 hours/ns, 15.657 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.786     | 63.786     | 63.786     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014863   | 0.014863   | 0.014863   |   0.0 |  0.02
Output  | 2.8725e-05 | 2.8725e-05 | 2.8725e-05 |   0.0 |  0.00
Modify  | 0.061729   | 0.061729   | 0.061729   |   0.0 |  0.10
Other   |            | 0.005185   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215288 ave      215288 max      215288 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215288
Ave neighs/atom = 107.644
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.812366777959, Press = 0.0458743788060899
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8444.9263     -8444.9263     -8510.2519     -8510.2519      252.8171       252.8171       23719.433      23719.433     -1534.2084     -1534.2084    
    224000  -8447.133      -8447.133      -8511.577      -8511.577       249.40488      249.40488      23658.658      23658.658      2503.2578      2503.2578    
Loop time of 63.7338 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.704 hours/ns, 15.690 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.652     | 63.652     | 63.652     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014922   | 0.014922   | 0.014922   |   0.0 |  0.02
Output  | 2.9686e-05 | 2.9686e-05 | 2.9686e-05 |   0.0 |  0.00
Modify  | 0.061762   | 0.061762   | 0.061762   |   0.0 |  0.10
Other   |            | 0.005168   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214194 ave      214194 max      214194 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214194
Ave neighs/atom = 107.097
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.822813157844, Press = 0.124133432683763
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.133      -8447.133      -8511.577      -8511.577       249.40488      249.40488      23658.658      23658.658      2503.2578      2503.2578    
    225000  -8445.3395     -8445.3395     -8511.2318     -8511.2318      255.00994      255.00994      23723.118      23723.118     -2011.6087     -2011.6087    
Loop time of 63.872 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.353 ns/day, 17.742 hours/ns, 15.656 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.79      | 63.79      | 63.79      |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014852   | 0.014852   | 0.014852   |   0.0 |  0.02
Output  | 2.8734e-05 | 2.8734e-05 | 2.8734e-05 |   0.0 |  0.00
Modify  | 0.061772   | 0.061772   | 0.061772   |   0.0 |  0.10
Other   |            | 0.005162   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215400 ave      215400 max      215400 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215400
Ave neighs/atom = 107.7
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.82605345208, Press = -0.224230474925379
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8445.3395     -8445.3395     -8511.2318     -8511.2318      255.00994      255.00994      23723.118      23723.118     -2011.6087     -2011.6087    
    226000  -8447.0065     -8447.0065     -8512.7438     -8512.7438      254.41008      254.41008      23677.276      23677.276      1013.8907      1013.8907    
Loop time of 63.7515 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.355 ns/day, 17.709 hours/ns, 15.686 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.67      | 63.67      | 63.67      |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014959   | 0.014959   | 0.014959   |   0.0 |  0.02
Output  | 2.9736e-05 | 2.9736e-05 | 2.9736e-05 |   0.0 |  0.00
Modify  | 0.061803   | 0.061803   | 0.061803   |   0.0 |  0.10
Other   |            | 0.005175   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214432 ave      214432 max      214432 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214432
Ave neighs/atom = 107.216
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.836492269351, Press = 0.419541232379603
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.0065     -8447.0065     -8512.7438     -8512.7438      254.41008      254.41008      23677.276      23677.276      1013.8907      1013.8907    
    227000  -8449.1133     -8449.1133     -8514.006      -8514.006       251.14142      251.14142      23678.994      23678.994      543.30897      543.30897    
Loop time of 63.73 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.703 hours/ns, 15.691 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.648     | 63.648     | 63.648     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014892   | 0.014892   | 0.014892   |   0.0 |  0.02
Output  | 2.9866e-05 | 2.9866e-05 | 2.9866e-05 |   0.0 |  0.00
Modify  | 0.061707   | 0.061707   | 0.061707   |   0.0 |  0.10
Other   |            | 0.005162   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214964 ave      214964 max      214964 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214964
Ave neighs/atom = 107.482
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.829975980716, Press = -0.150574123658581
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8449.1133     -8449.1133     -8514.006      -8514.006       251.14142      251.14142      23678.994      23678.994      543.30897      543.30897    
    228000  -8444.6918     -8444.6918     -8511          -8511           256.61967      256.61967      23710.195      23710.195     -1020.2792     -1020.2792    
Loop time of 63.7377 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.705 hours/ns, 15.689 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.656     | 63.656     | 63.656     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0149     | 0.0149     | 0.0149     |   0.0 |  0.02
Output  | 2.9706e-05 | 2.9706e-05 | 2.9706e-05 |   0.0 |  0.00
Modify  | 0.061705   | 0.061705   | 0.061705   |   0.0 |  0.10
Other   |            | 0.005178   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214968 ave      214968 max      214968 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214968
Ave neighs/atom = 107.484
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.835533075077, Press = 0.0812739288986881
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8444.6918     -8444.6918     -8511          -8511           256.61967      256.61967      23710.195      23710.195     -1020.2792     -1020.2792    
    229000  -8448.4702     -8448.4702     -8512.7852     -8512.7852      248.90559      248.90559      23691.083      23691.083      56.60434       56.60434     
Loop time of 63.7994 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.354 ns/day, 17.722 hours/ns, 15.674 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.717     | 63.717     | 63.717     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014919   | 0.014919   | 0.014919   |   0.0 |  0.02
Output  | 3.0036e-05 | 3.0036e-05 | 3.0036e-05 |   0.0 |  0.00
Modify  | 0.061822   | 0.061822   | 0.061822   |   0.0 |  0.10
Other   |            | 0.00517    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214558 ave      214558 max      214558 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214558
Ave neighs/atom = 107.279
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.842168696276, Press = 0.0550519549676474
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8448.4702     -8448.4702     -8512.7852     -8512.7852      248.90559      248.90559      23691.083      23691.083      56.60434       56.60434     
    230000  -8445.2314     -8445.2314     -8510.8393     -8510.8393      253.90946      253.90946      23686.487      23686.487      764.45089      764.45089    
Loop time of 63.5383 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.360 ns/day, 17.650 hours/ns, 15.739 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.456     | 63.456     | 63.456     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014955   | 0.014955   | 0.014955   |   0.0 |  0.02
Output  | 2.9135e-05 | 2.9135e-05 | 2.9135e-05 |   0.0 |  0.00
Modify  | 0.06176    | 0.06176    | 0.06176    |   0.0 |  0.10
Other   |            | 0.005166   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214794 ave      214794 max      214794 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214794
Ave neighs/atom = 107.397
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.849323690027, Press = -0.000773362397082887
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8445.2314     -8445.2314     -8510.8393     -8510.8393      253.90946      253.90946      23686.487      23686.487      764.45089      764.45089    
    231000  -8448.4744     -8448.4744     -8514.0937     -8514.0937      253.95345      253.95345      23697.198      23697.198     -730.70036     -730.70036    
Loop time of 63.5979 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.359 ns/day, 17.666 hours/ns, 15.724 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.516     | 63.516     | 63.516     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014892   | 0.014892   | 0.014892   |   0.0 |  0.02
Output  | 2.8474e-05 | 2.8474e-05 | 2.8474e-05 |   0.0 |  0.00
Modify  | 0.061796   | 0.061796   | 0.061796   |   0.0 |  0.10
Other   |            | 0.005162   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214588 ave      214588 max      214588 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214588
Ave neighs/atom = 107.294
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.850294354528, Press = 0.0118029531507907
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8448.4744     -8448.4744     -8514.0937     -8514.0937      253.95345      253.95345      23697.198      23697.198     -730.70036     -730.70036    
    232000  -8447.5825     -8447.5825     -8512.6099     -8512.6099      251.66269      251.66269      23684.822      23684.822      480.34125      480.34125    
Loop time of 63.4989 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.361 ns/day, 17.639 hours/ns, 15.748 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.417     | 63.417     | 63.417     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014944   | 0.014944   | 0.014944   |   0.0 |  0.02
Output  | 2.9956e-05 | 2.9956e-05 | 2.9956e-05 |   0.0 |  0.00
Modify  | 0.061782   | 0.061782   | 0.061782   |   0.0 |  0.10
Other   |            | 0.005181   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214712 ave      214712 max      214712 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214712
Ave neighs/atom = 107.356
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.850369662838, Press = 0.108844768122128
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.5825     -8447.5825     -8512.6099     -8512.6099      251.66269      251.66269      23684.822      23684.822      480.34125      480.34125    
    233000  -8447.403      -8447.403      -8513.4451     -8513.4451      255.5898       255.5898       23688.23       23688.23       133.67857      133.67857    
Loop time of 63.6567 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.357 ns/day, 17.682 hours/ns, 15.709 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.575     | 63.575     | 63.575     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014974   | 0.014974   | 0.014974   |   0.0 |  0.02
Output  | 3.196e-05  | 3.196e-05  | 3.196e-05  |   0.0 |  0.00
Modify  | 0.061721   | 0.061721   | 0.061721   |   0.0 |  0.10
Other   |            | 0.00515    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214976 ave      214976 max      214976 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214976
Ave neighs/atom = 107.488
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.840036347354, Press = -0.0904653925019383
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -8447.403      -8447.403      -8513.4451     -8513.4451      255.5898       255.5898       23688.23       23688.23       133.67857      133.67857    
    234000  -8445.5868     -8445.5868     -8512.0321     -8512.0321      257.14986      257.14986      23703.267      23703.267     -777.06012     -777.06012    
Loop time of 63.7848 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.355 ns/day, 17.718 hours/ns, 15.678 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.703     | 63.703     | 63.703     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014967   | 0.014967   | 0.014967   |   0.0 |  0.02
Output  | 3.0738e-05 | 3.0738e-05 | 3.0738e-05 |   0.0 |  0.00
Modify  | 0.061796   | 0.061796   | 0.061796   |   0.0 |  0.10
Other   |            | 0.005163   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214898 ave      214898 max      214898 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214898
Ave neighs/atom = 107.449
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.83922352123, Press = 0.150634615840808
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    234000  -8445.5868     -8445.5868     -8512.0321     -8512.0321      257.14986      257.14986      23703.267      23703.267     -777.06012     -777.06012    
    235000  -8447.663      -8447.663      -8512.252      -8512.252       249.96627      249.96627      23668.882      23668.882      1716.6475      1716.6475    
Loop time of 63.6046 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.668 hours/ns, 15.722 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.523     | 63.523     | 63.523     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014882   | 0.014882   | 0.014882   |   0.0 |  0.02
Output  | 2.7301e-05 | 2.7301e-05 | 2.7301e-05 |   0.0 |  0.00
Modify  | 0.06188    | 0.06188    | 0.06188    |   0.0 |  0.10
Other   |            | 0.00516    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214364 ave      214364 max      214364 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214364
Ave neighs/atom = 107.182
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.840234167988, Press = -0.11064135763174
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    235000  -8447.663      -8447.663      -8512.252      -8512.252       249.96627      249.96627      23668.882      23668.882      1716.6475      1716.6475    
    236000  -8448.1581     -8448.1581     -8513.1558     -8513.1558      251.54779      251.54779      23720.793      23720.793     -2199.7445     -2199.7445    
Loop time of 63.8078 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.354 ns/day, 17.724 hours/ns, 15.672 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.726     | 63.726     | 63.726     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014985   | 0.014985   | 0.014985   |   0.0 |  0.02
Output  | 3.2662e-05 | 3.2662e-05 | 3.2662e-05 |   0.0 |  0.00
Modify  | 0.061715   | 0.061715   | 0.061715   |   0.0 |  0.10
Other   |            | 0.00516    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215072 ave      215072 max      215072 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215072
Ave neighs/atom = 107.536
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.850159739193, Press = 0.0396283024854758
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    236000  -8448.1581     -8448.1581     -8513.1558     -8513.1558      251.54779      251.54779      23720.793      23720.793     -2199.7445     -2199.7445    
    237000  -8444.7737     -8444.7737     -8511.3307     -8511.3307      257.58266      257.58266      23656.638      23656.638      2804.5454      2804.5454    
Loop time of 63.4602 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.361 ns/day, 17.628 hours/ns, 15.758 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.378     | 63.378     | 63.378     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01487    | 0.01487    | 0.01487    |   0.0 |  0.02
Output  | 2.8474e-05 | 2.8474e-05 | 2.8474e-05 |   0.0 |  0.00
Modify  | 0.06175    | 0.06175    | 0.06175    |   0.0 |  0.10
Other   |            | 0.005169   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214396 ave      214396 max      214396 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214396
Ave neighs/atom = 107.198
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.856355467897, Press = 0.0990231704272807
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    237000  -8444.7737     -8444.7737     -8511.3307     -8511.3307      257.58266      257.58266      23656.638      23656.638      2804.5454      2804.5454    
    238000  -8448.2602     -8448.2602     -8512.8871     -8512.8871      250.11293      250.11293      23720.873      23720.873     -2224.5516     -2224.5516    
Loop time of 63.8689 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.353 ns/day, 17.741 hours/ns, 15.657 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.787     | 63.787     | 63.787     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014866   | 0.014866   | 0.014866   |   0.0 |  0.02
Output  | 2.8904e-05 | 2.8904e-05 | 2.8904e-05 |   0.0 |  0.00
Modify  | 0.061776   | 0.061776   | 0.061776   |   0.0 |  0.10
Other   |            | 0.005154   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215134 ave      215134 max      215134 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215134
Ave neighs/atom = 107.567
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.854922605471, Press = -0.214774389953905
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    238000  -8448.2602     -8448.2602     -8512.8871     -8512.8871      250.11293      250.11293      23720.873      23720.873     -2224.5516     -2224.5516    
    239000  -8447.2239     -8447.2239     -8512.3959     -8512.3959      252.22237      252.22237      23666.324      23666.324      1936.2326      1936.2326    
Loop time of 63.6713 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.357 ns/day, 17.686 hours/ns, 15.706 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.59      | 63.59      | 63.59      |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014854   | 0.014854   | 0.014854   |   0.0 |  0.02
Output  | 2.8314e-05 | 2.8314e-05 | 2.8314e-05 |   0.0 |  0.00
Modify  | 0.061748   | 0.061748   | 0.061748   |   0.0 |  0.10
Other   |            | 0.005151   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214236 ave      214236 max      214236 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214236
Ave neighs/atom = 107.118
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.851633496568, Press = 0.419334956245699
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    239000  -8447.2239     -8447.2239     -8512.3959     -8512.3959      252.22237      252.22237      23666.324      23666.324      1936.2326      1936.2326    
    240000  -8447.0377     -8447.0377     -8511.3256     -8511.3256      248.80089      248.80089      23694.308      23694.308     -34.015501     -34.015501    
Loop time of 63.736 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.704 hours/ns, 15.690 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.654     | 63.654     | 63.654     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01486    | 0.01486    | 0.01486    |   0.0 |  0.02
Output  | 2.9215e-05 | 2.9215e-05 | 2.9215e-05 |   0.0 |  0.00
Modify  | 0.061779   | 0.061779   | 0.061779   |   0.0 |  0.10
Other   |            | 0.005172   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215206 ave      215206 max      215206 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215206
Ave neighs/atom = 107.603
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.842819664031, Press = -0.2060971385212
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    240000  -8447.0377     -8447.0377     -8511.3256     -8511.3256      248.80089      248.80089      23694.308      23694.308     -34.015501     -34.015501    
    241000  -8449.5522     -8449.5522     -8513.0808     -8513.0808      245.86223      245.86223      23687.567      23687.567      115.62519      115.62519    
Loop time of 63.7175 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.699 hours/ns, 15.694 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.636     | 63.636     | 63.636     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014936   | 0.014936   | 0.014936   |   0.0 |  0.02
Output  | 3.0557e-05 | 3.0557e-05 | 3.0557e-05 |   0.0 |  0.00
Modify  | 0.061714   | 0.061714   | 0.061714   |   0.0 |  0.10
Other   |            | 0.005165   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214780 ave      214780 max      214780 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214780
Ave neighs/atom = 107.39
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.844402903441, Press = 0.135276016973802
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    241000  -8449.5522     -8449.5522     -8513.0808     -8513.0808      245.86223      245.86223      23687.567      23687.567      115.62519      115.62519    
    242000  -8447.7399     -8447.7399     -8513.1732     -8513.1732      253.23382      253.23382      23676.067      23676.067      1056.6663      1056.6663    
Loop time of 63.6815 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.357 ns/day, 17.689 hours/ns, 15.703 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.6       | 63.6       | 63.6       |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01487    | 0.01487    | 0.01487    |   0.0 |  0.02
Output  | 2.8554e-05 | 2.8554e-05 | 2.8554e-05 |   0.0 |  0.00
Modify  | 0.061817   | 0.061817   | 0.061817   |   0.0 |  0.10
Other   |            | 0.005168   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214928 ave      214928 max      214928 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214928
Ave neighs/atom = 107.464
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.835058359249, Press = -0.0843051093162488
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    242000  -8447.7399     -8447.7399     -8513.1732     -8513.1732      253.23382      253.23382      23676.067      23676.067      1056.6663      1056.6663    
    243000  -8447.6886     -8447.6886     -8512.7543     -8512.7543      251.81106      251.81106      23718.989      23718.989     -2013.4446     -2013.4446    
Loop time of 63.8005 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.354 ns/day, 17.722 hours/ns, 15.674 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.719     | 63.719     | 63.719     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014919   | 0.014919   | 0.014919   |   0.0 |  0.02
Output  | 2.8784e-05 | 2.8784e-05 | 2.8784e-05 |   0.0 |  0.00
Modify  | 0.06178    | 0.06178    | 0.06178    |   0.0 |  0.10
Other   |            | 0.005162   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215182 ave      215182 max      215182 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215182
Ave neighs/atom = 107.591
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.838279167864, Press = 0.0464862496461905
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    243000  -8447.6886     -8447.6886     -8512.7543     -8512.7543      251.81106      251.81106      23718.989      23718.989     -2013.4446     -2013.4446    
    244000  -8448.1801     -8448.1801     -8512.8535     -8512.8535      250.29272      250.29272      23629.689      23629.689      4430.1331      4430.1331    
Loop time of 63.654 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.357 ns/day, 17.682 hours/ns, 15.710 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.572     | 63.572     | 63.572     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014851   | 0.014851   | 0.014851   |   0.0 |  0.02
Output  | 2.9385e-05 | 2.9385e-05 | 2.9385e-05 |   0.0 |  0.00
Modify  | 0.061731   | 0.061731   | 0.061731   |   0.0 |  0.10
Other   |            | 0.005177   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214576 ave      214576 max      214576 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214576
Ave neighs/atom = 107.288
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.842441146997, Press = 0.221129647863072
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    244000  -8448.1801     -8448.1801     -8512.8535     -8512.8535      250.29272      250.29272      23629.689      23629.689      4430.1331      4430.1331    
    245000  -8447.3697     -8447.3697     -8513.0217     -8513.0217      254.0799       254.0799       23726.931      23726.931     -2572.2484     -2572.2484    
Loop time of 63.7868 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.355 ns/day, 17.719 hours/ns, 15.677 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.705     | 63.705     | 63.705     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014936   | 0.014936   | 0.014936   |   0.0 |  0.02
Output  | 2.8754e-05 | 2.8754e-05 | 2.8754e-05 |   0.0 |  0.00
Modify  | 0.06175    | 0.06175    | 0.06175    |   0.0 |  0.10
Other   |            | 0.005175   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215954 ave      215954 max      215954 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215954
Ave neighs/atom = 107.977
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 = 252.852083793308, Press = -0.179624392345234
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    245000  -8447.3697     -8447.3697     -8513.0217     -8513.0217      254.0799       254.0799       23726.931      23726.931     -2572.2484     -2572.2484    
    246000  -8444.6554     -8444.6554     -8510.4927     -8510.4927      254.79715      254.79715      23692.459      23692.459      314.42087      314.42087    
Loop time of 63.7355 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.704 hours/ns, 15.690 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.654     | 63.654     | 63.654     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014834   | 0.014834   | 0.014834   |   0.0 |  0.02
Output  | 2.8884e-05 | 2.8884e-05 | 2.8884e-05 |   0.0 |  0.00
Modify  | 0.061742   | 0.061742   | 0.061742   |   0.0 |  0.10
Other   |            | 0.005163   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214294 ave      214294 max      214294 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214294
Ave neighs/atom = 107.147
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.854118452039, Press = 0.168120675951944
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    246000  -8444.6554     -8444.6554     -8510.4927     -8510.4927      254.79715      254.79715      23692.459      23692.459      314.42087      314.42087    
    247000  -8447.115      -8447.115      -8513.7556     -8513.7556      257.90587      257.90587      23697.24       23697.24      -550.49699     -550.49699    
Loop time of 63.674 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.357 ns/day, 17.687 hours/ns, 15.705 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.592     | 63.592     | 63.592     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01489    | 0.01489    | 0.01489    |   0.0 |  0.02
Output  | 2.8453e-05 | 2.8453e-05 | 2.8453e-05 |   0.0 |  0.00
Modify  | 0.061743   | 0.061743   | 0.061743   |   0.0 |  0.10
Other   |            | 0.005174   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214796 ave      214796 max      214796 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214796
Ave neighs/atom = 107.398
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.867144191887, Press = -0.0574034562691129
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    247000  -8447.115      -8447.115      -8513.7556     -8513.7556      257.90587      257.90587      23697.24       23697.24      -550.49699     -550.49699    
    248000  -8446.0908     -8446.0908     -8512.8252     -8512.8252      258.26883      258.26883      23692.422      23692.422     -21.374652     -21.374652    
Loop time of 63.7122 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.698 hours/ns, 15.696 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.63      | 63.63      | 63.63      |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014894   | 0.014894   | 0.014894   |   0.0 |  0.02
Output  | 5.3691e-05 | 5.3691e-05 | 5.3691e-05 |   0.0 |  0.00
Modify  | 0.061759   | 0.061759   | 0.061759   |   0.0 |  0.10
Other   |            | 0.005168   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214752 ave      214752 max      214752 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214752
Ave neighs/atom = 107.376
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.868375708193, Press = 0.127612472060373
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    248000  -8446.0908     -8446.0908     -8512.8252     -8512.8252      258.26883      258.26883      23692.422      23692.422     -21.374652     -21.374652    
    249000  -8447.7126     -8447.7126     -8511.6148     -8511.6148      247.30838      247.30838      23679.124      23679.124      1010.9327      1010.9327    
Loop time of 63.6492 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.357 ns/day, 17.680 hours/ns, 15.711 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.567     | 63.567     | 63.567     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014874   | 0.014874   | 0.014874   |   0.0 |  0.02
Output  | 3.0427e-05 | 3.0427e-05 | 3.0427e-05 |   0.0 |  0.00
Modify  | 0.061779   | 0.061779   | 0.061779   |   0.0 |  0.10
Other   |            | 0.005163   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214780 ave      214780 max      214780 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214780
Ave neighs/atom = 107.39
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.872810684751, Press = -0.11301981495986
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    249000  -8447.7126     -8447.7126     -8511.6148     -8511.6148      247.30838      247.30838      23679.124      23679.124      1010.9327      1010.9327    
    250000  -8443.5827     -8443.5827     -8511.4486     -8511.4486      262.64794      262.64794      23718.305      23718.305     -1543.7128     -1543.7128    
Loop time of 63.6863 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.357 ns/day, 17.691 hours/ns, 15.702 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.604     | 63.604     | 63.604     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014951   | 0.014951   | 0.014951   |   0.0 |  0.02
Output  | 3.0678e-05 | 3.0678e-05 | 3.0678e-05 |   0.0 |  0.00
Modify  | 0.061835   | 0.061835   | 0.061835   |   0.0 |  0.10
Other   |            | 0.005182   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214778 ave      214778 max      214778 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214778
Ave neighs/atom = 107.389
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.88186982113, Press = 0.197993389287429
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    250000  -8443.5827     -8443.5827     -8511.4486     -8511.4486      262.64794      262.64794      23718.305      23718.305     -1543.7128     -1543.7128    
    251000  -8446.928      -8446.928      -8512.4247     -8512.4247      253.47905      253.47905      23671.64       23671.64       1617.6561      1617.6561    
Loop time of 63.7263 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.702 hours/ns, 15.692 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.644     | 63.644     | 63.644     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014901   | 0.014901   | 0.014901   |   0.0 |  0.02
Output  | 3.2521e-05 | 3.2521e-05 | 3.2521e-05 |   0.0 |  0.00
Modify  | 0.061776   | 0.061776   | 0.061776   |   0.0 |  0.10
Other   |            | 0.005178   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214356 ave      214356 max      214356 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214356
Ave neighs/atom = 107.178
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.885684983482, Press = -0.0298630494898143
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    251000  -8446.928      -8446.928      -8512.4247     -8512.4247      253.47905      253.47905      23671.64       23671.64       1617.6561      1617.6561    
    252000  -8447.5788     -8447.5788     -8511.549      -8511.549       247.57156      247.57156      23723.549      23723.549     -2028.4155     -2028.4155    
Loop time of 63.7656 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.355 ns/day, 17.713 hours/ns, 15.682 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.684     | 63.684     | 63.684     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01489    | 0.01489    | 0.01489    |   0.0 |  0.02
Output  | 2.9135e-05 | 2.9135e-05 | 2.9135e-05 |   0.0 |  0.00
Modify  | 0.061788   | 0.061788   | 0.061788   |   0.0 |  0.10
Other   |            | 0.005171   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215216 ave      215216 max      215216 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215216
Ave neighs/atom = 107.608
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.888086770281, Press = 0.0117748745617068
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    252000  -8447.5788     -8447.5788     -8511.549      -8511.549       247.57156      247.57156      23723.549      23723.549     -2028.4155     -2028.4155    
    253000  -8444.2069     -8444.2069     -8511.0515     -8511.0515      258.69519      258.69519      23646.712      23646.712      3589.8719      3589.8719    
Loop time of 63.8435 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.353 ns/day, 17.734 hours/ns, 15.663 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.761     | 63.761     | 63.761     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014966   | 0.014966   | 0.014966   |   0.0 |  0.02
Output  | 2.9466e-05 | 2.9466e-05 | 2.9466e-05 |   0.0 |  0.00
Modify  | 0.062121   | 0.062121   | 0.062121   |   0.0 |  0.10
Other   |            | 0.005183   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214530 ave      214530 max      214530 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214530
Ave neighs/atom = 107.265
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.893749314268, Press = 0.292851776502511
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    253000  -8444.2069     -8444.2069     -8511.0515     -8511.0515      258.69519      258.69519      23646.712      23646.712      3589.8719      3589.8719    
    254000  -8448.2235     -8448.2235     -8512.7592     -8512.7592      249.76019      249.76019      23709.972      23709.972     -1350.6491     -1350.6491    
Loop time of 63.7874 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.354 ns/day, 17.719 hours/ns, 15.677 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.706     | 63.706     | 63.706     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014871   | 0.014871   | 0.014871   |   0.0 |  0.02
Output  | 3.0177e-05 | 3.0177e-05 | 3.0177e-05 |   0.0 |  0.00
Modify  | 0.061731   | 0.061731   | 0.061731   |   0.0 |  0.10
Other   |            | 0.00517    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215324 ave      215324 max      215324 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215324
Ave neighs/atom = 107.662
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.903992174815, Press = -0.226720161750174
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    254000  -8448.2235     -8448.2235     -8512.7592     -8512.7592      249.76019      249.76019      23709.972      23709.972     -1350.6491     -1350.6491    
    255000  -8446.1888     -8446.1888     -8510.8513     -8510.8513      250.25075      250.25075      23693.893      23693.893      293.7271       293.7271     
Loop time of 63.6643 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.357 ns/day, 17.685 hours/ns, 15.707 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.582     | 63.582     | 63.582     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015004   | 0.015004   | 0.015004   |   0.0 |  0.02
Output  | 2.8544e-05 | 2.8544e-05 | 2.8544e-05 |   0.0 |  0.00
Modify  | 0.061805   | 0.061805   | 0.061805   |   0.0 |  0.10
Other   |            | 0.005177   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214584 ave      214584 max      214584 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214584
Ave neighs/atom = 107.292
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.903119014966, Press = 0.0995191107223521
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    255000  -8446.1888     -8446.1888     -8510.8513     -8510.8513      250.25075      250.25075      23693.893      23693.893      293.7271       293.7271     
    256000  -8445.4078     -8445.4078     -8511.9031     -8511.9031      257.34369      257.34369      23689.969      23689.969      308.89524      308.89524    
Loop time of 63.7997 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.354 ns/day, 17.722 hours/ns, 15.674 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.718     | 63.718     | 63.718     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0149     | 0.0149     | 0.0149     |   0.0 |  0.02
Output  | 2.8203e-05 | 2.8203e-05 | 2.8203e-05 |   0.0 |  0.00
Modify  | 0.061711   | 0.061711   | 0.061711   |   0.0 |  0.10
Other   |            | 0.005163   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214764 ave      214764 max      214764 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214764
Ave neighs/atom = 107.382
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.900184320747, Press = 0.0325953892949074
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    256000  -8445.4078     -8445.4078     -8511.9031     -8511.9031      257.34369      257.34369      23689.969      23689.969      308.89524      308.89524    
    257000  -8448.5106     -8448.5106     -8512.6693     -8512.6693      248.30089      248.30089      23690.663      23690.663      78.595995      78.595995    
Loop time of 63.6413 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.678 hours/ns, 15.713 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.56      | 63.56      | 63.56      |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014849   | 0.014849   | 0.014849   |   0.0 |  0.02
Output  | 2.9636e-05 | 2.9636e-05 | 2.9636e-05 |   0.0 |  0.00
Modify  | 0.061739   | 0.061739   | 0.061739   |   0.0 |  0.10
Other   |            | 0.005166   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214778 ave      214778 max      214778 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214778
Ave neighs/atom = 107.389
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.908188197938, Press = 0.00116831994918678
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    257000  -8448.5106     -8448.5106     -8512.6693     -8512.6693      248.30089      248.30089      23690.663      23690.663      78.595995      78.595995    
    258000  -8447.7366     -8447.7366     -8513.0798     -8513.0798      252.88503      252.88503      23704.073      23704.073     -899.93233     -899.93233    
Loop time of 63.6756 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.357 ns/day, 17.688 hours/ns, 15.705 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.594     | 63.594     | 63.594     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01485    | 0.01485    | 0.01485    |   0.0 |  0.02
Output  | 2.7693e-05 | 2.7693e-05 | 2.7693e-05 |   0.0 |  0.00
Modify  | 0.061669   | 0.061669   | 0.061669   |   0.0 |  0.10
Other   |            | 0.005163   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214876 ave      214876 max      214876 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214876
Ave neighs/atom = 107.438
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.909586351444, Press = 0.0541940274847851
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    258000  -8447.7366     -8447.7366     -8513.0798     -8513.0798      252.88503      252.88503      23704.073      23704.073     -899.93233     -899.93233    
    259000  -8447.6526     -8447.6526     -8512.8014     -8512.8014      252.13243      252.13243      23670.854      23670.854      1418.0463      1418.0463    
Loop time of 63.7023 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.695 hours/ns, 15.698 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.621     | 63.621     | 63.621     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014823   | 0.014823   | 0.014823   |   0.0 |  0.02
Output  | 2.5989e-05 | 2.5989e-05 | 2.5989e-05 |   0.0 |  0.00
Modify  | 0.061622   | 0.061622   | 0.061622   |   0.0 |  0.10
Other   |            | 0.005156   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214640 ave      214640 max      214640 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214640
Ave neighs/atom = 107.32
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.910178256054, Press = 0.117840102918005
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    259000  -8447.6526     -8447.6526     -8512.8014     -8512.8014      252.13243      252.13243      23670.854      23670.854      1418.0463      1418.0463    
    260000  -8447.0674     -8447.0674     -8512.6361     -8512.6361      253.75742      253.75742      23707.999      23707.999     -1131.4329     -1131.4329    
Loop time of 63.7898 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.354 ns/day, 17.719 hours/ns, 15.676 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.708     | 63.708     | 63.708     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014942   | 0.014942   | 0.014942   |   0.0 |  0.02
Output  | 2.7622e-05 | 2.7622e-05 | 2.7622e-05 |   0.0 |  0.00
Modify  | 0.061706   | 0.061706   | 0.061706   |   0.0 |  0.10
Other   |            | 0.005171   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215170 ave      215170 max      215170 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215170
Ave neighs/atom = 107.585
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.900983040958, Press = -0.105736584080164
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    260000  -8447.0674     -8447.0674     -8512.6361     -8512.6361      253.75742      253.75742      23707.999      23707.999     -1131.4329     -1131.4329    
    261000  -8448.7904     -8448.7904     -8514.1618     -8514.1618      252.99423      252.99423      23685.12       23685.12       265.7259       265.7259     
Loop time of 63.7483 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.355 ns/day, 17.708 hours/ns, 15.687 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.666     | 63.666     | 63.666     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014945   | 0.014945   | 0.014945   |   0.0 |  0.02
Output  | 2.6821e-05 | 2.6821e-05 | 2.6821e-05 |   0.0 |  0.00
Modify  | 0.061666   | 0.061666   | 0.061666   |   0.0 |  0.10
Other   |            | 0.005162   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214568 ave      214568 max      214568 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214568
Ave neighs/atom = 107.284
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.901322805508, Press = 0.248111754067312
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    261000  -8448.7904     -8448.7904     -8514.1618     -8514.1618      252.99423      252.99423      23685.12       23685.12       265.7259       265.7259     
    262000  -8445.9596     -8445.9596     -8513.4543     -8513.4543      261.21146      261.21146      23685.157      23685.157      402.50538      402.50538    
Loop time of 63.6661 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.357 ns/day, 17.685 hours/ns, 15.707 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.584     | 63.584     | 63.584     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014846   | 0.014846   | 0.014846   |   0.0 |  0.02
Output  | 2.634e-05  | 2.634e-05  | 2.634e-05  |   0.0 |  0.00
Modify  | 0.061652   | 0.061652   | 0.061652   |   0.0 |  0.10
Other   |            | 0.005175   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215124 ave      215124 max      215124 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215124
Ave neighs/atom = 107.562
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.898378310677, Press = -0.27288516592209
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    262000  -8445.9596     -8445.9596     -8513.4543     -8513.4543      261.21146      261.21146      23685.157      23685.157      402.50538      402.50538    
    263000  -8448.3009     -8448.3009     -8513.65       -8513.65        252.90775      252.90775      23704.914      23704.914     -1070.0521     -1070.0521    
Loop time of 63.7649 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.355 ns/day, 17.712 hours/ns, 15.683 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.683     | 63.683     | 63.683     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014882   | 0.014882   | 0.014882   |   0.0 |  0.02
Output  | 2.7371e-05 | 2.7371e-05 | 2.7371e-05 |   0.0 |  0.00
Modify  | 0.06163    | 0.06163    | 0.06163    |   0.0 |  0.10
Other   |            | 0.005164   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214962 ave      214962 max      214962 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214962
Ave neighs/atom = 107.481
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.902612719712, Press = 0.15242762092325
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    263000  -8448.3009     -8448.3009     -8513.65       -8513.65        252.90775      252.90775      23704.914      23704.914     -1070.0521     -1070.0521    
    264000  -8445.0689     -8445.0689     -8511.9703     -8511.9703      258.91529      258.91529      23691.013      23691.013      276.49877      276.49877    
Loop time of 63.6994 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.694 hours/ns, 15.699 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.618     | 63.618     | 63.618     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01492    | 0.01492    | 0.01492    |   0.0 |  0.02
Output  | 2.7391e-05 | 2.7391e-05 | 2.7391e-05 |   0.0 |  0.00
Modify  | 0.061675   | 0.061675   | 0.061675   |   0.0 |  0.10
Other   |            | 0.005179   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214828 ave      214828 max      214828 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214828
Ave neighs/atom = 107.414
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.909647391005, Press = -0.0136262915817553
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    264000  -8445.0689     -8445.0689     -8511.9703     -8511.9703      258.91529      258.91529      23691.013      23691.013      276.49877      276.49877    
    265000  -8447.8054     -8447.8054     -8511.0048     -8511.0048      244.58819      244.58819      23698.983      23698.983     -423.59383     -423.59383    
Loop time of 63.7416 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.355 ns/day, 17.706 hours/ns, 15.688 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.66      | 63.66      | 63.66      |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014895   | 0.014895   | 0.014895   |   0.0 |  0.02
Output  | 2.9465e-05 | 2.9465e-05 | 2.9465e-05 |   0.0 |  0.00
Modify  | 0.061635   | 0.061635   | 0.061635   |   0.0 |  0.10
Other   |            | 0.005141   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214904 ave      214904 max      214904 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214904
Ave neighs/atom = 107.452
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.919003855885, Press = 0.00988071697925751
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    265000  -8447.8054     -8447.8054     -8511.0048     -8511.0048      244.58819      244.58819      23698.983      23698.983     -423.59383     -423.59383    
    266000  -8444.3978     -8444.3978     -8510.9694     -8510.9694      257.63929      257.63929      23675.989      23675.989      1524.72        1524.72      
Loop time of 63.6476 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.357 ns/day, 17.680 hours/ns, 15.712 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.566     | 63.566     | 63.566     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014907   | 0.014907   | 0.014907   |   0.0 |  0.02
Output  | 2.7732e-05 | 2.7732e-05 | 2.7732e-05 |   0.0 |  0.00
Modify  | 0.06162    | 0.06162    | 0.06162    |   0.0 |  0.10
Other   |            | 0.005158   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214488 ave      214488 max      214488 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214488
Ave neighs/atom = 107.244
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.923346371663, Press = 0.0699007740695642
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    266000  -8444.3978     -8444.3978     -8510.9694     -8510.9694      257.63929      257.63929      23675.989      23675.989      1524.72        1524.72      
    267000  -8447.3242     -8447.3242     -8513.0432     -8513.0432      254.33946      254.33946      23725.204      23725.204     -2452.9722     -2452.9722    
Loop time of 63.7861 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.355 ns/day, 17.718 hours/ns, 15.677 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.704     | 63.704     | 63.704     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014971   | 0.014971   | 0.014971   |   0.0 |  0.02
Output  | 2.7642e-05 | 2.7642e-05 | 2.7642e-05 |   0.0 |  0.00
Modify  | 0.061682   | 0.061682   | 0.061682   |   0.0 |  0.10
Other   |            | 0.005151   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214830 ave      214830 max      214830 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214830
Ave neighs/atom = 107.415
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.922403148682, Press = -0.100279208821176
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    267000  -8447.3242     -8447.3242     -8513.0432     -8513.0432      254.33946      254.33946      23725.204      23725.204     -2452.9722     -2452.9722    
    268000  -8451.0019     -8451.0019     -8513.8099     -8513.8099      243.07316      243.07316      23655.306      23655.306      2335.796       2335.796     
Loop time of 63.6985 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.694 hours/ns, 15.699 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.617     | 63.617     | 63.617     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014829   | 0.014829   | 0.014829   |   0.0 |  0.02
Output  | 2.7192e-05 | 2.7192e-05 | 2.7192e-05 |   0.0 |  0.00
Modify  | 0.061668   | 0.061668   | 0.061668   |   0.0 |  0.10
Other   |            | 0.00517    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214456 ave      214456 max      214456 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214456
Ave neighs/atom = 107.228
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.920030293597, Press = 0.276710923965725
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    268000  -8451.0019     -8451.0019     -8513.8099     -8513.8099      243.07316      243.07316      23655.306      23655.306      2335.796       2335.796     
    269000  -8446.5145     -8446.5145     -8511.6948     -8511.6948      252.25454      252.25454      23701.544      23701.544     -524.06862     -524.06862    
Loop time of 63.7404 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.355 ns/day, 17.706 hours/ns, 15.689 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.659     | 63.659     | 63.659     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014895   | 0.014895   | 0.014895   |   0.0 |  0.02
Output  | 2.6379e-05 | 2.6379e-05 | 2.6379e-05 |   0.0 |  0.00
Modify  | 0.061596   | 0.061596   | 0.061596   |   0.0 |  0.10
Other   |            | 0.005153   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215530 ave      215530 max      215530 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215530
Ave neighs/atom = 107.765
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.91383570974, Press = -0.186849625041056
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    269000  -8446.5145     -8446.5145     -8511.6948     -8511.6948      252.25454      252.25454      23701.544      23701.544     -524.06862     -524.06862    
    270000  -8449.6237     -8449.6237     -8515.3004     -8515.3004      254.17562      254.17562      23700.817      23700.817     -1080.0648     -1080.0648    
Loop time of 63.7276 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.702 hours/ns, 15.692 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.646     | 63.646     | 63.646     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01497    | 0.01497    | 0.01497    |   0.0 |  0.02
Output  | 2.659e-05  | 2.659e-05  | 2.659e-05  |   0.0 |  0.00
Modify  | 0.061649   | 0.061649   | 0.061649   |   0.0 |  0.10
Other   |            | 0.005177   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214538 ave      214538 max      214538 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214538
Ave neighs/atom = 107.269
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.908471375574, Press = 0.179483935629494
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    270000  -8449.6237     -8449.6237     -8515.3004     -8515.3004      254.17562      254.17562      23700.817      23700.817     -1080.0648     -1080.0648    
    271000  -8447.5439     -8447.5439     -8513.7731     -8513.7731      256.31378      256.31378      23671.344      23671.344      1317.2509      1317.2509    
Loop time of 63.7385 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.705 hours/ns, 15.689 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.657     | 63.657     | 63.657     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014941   | 0.014941   | 0.014941   |   0.0 |  0.02
Output  | 2.6791e-05 | 2.6791e-05 | 2.6791e-05 |   0.0 |  0.00
Modify  | 0.061613   | 0.061613   | 0.061613   |   0.0 |  0.10
Other   |            | 0.005153   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215048 ave      215048 max      215048 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215048
Ave neighs/atom = 107.524
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.914705729394, Press = -0.0838166267786207
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    271000  -8447.5439     -8447.5439     -8513.7731     -8513.7731      256.31378      256.31378      23671.344      23671.344      1317.2509      1317.2509    
    272000  -8446.8431     -8446.8431     -8512.2349     -8512.2349      253.07319      253.07319      23718.772      23718.772     -1852.4564     -1852.4564    
Loop time of 63.7354 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.704 hours/ns, 15.690 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.654     | 63.654     | 63.654     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014849   | 0.014849   | 0.014849   |   0.0 |  0.02
Output  | 2.645e-05  | 2.645e-05  | 2.645e-05  |   0.0 |  0.00
Modify  | 0.061634   | 0.061634   | 0.061634   |   0.0 |  0.10
Other   |            | 0.005167   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215200 ave      215200 max      215200 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215200
Ave neighs/atom = 107.6
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.916329797773, Press = 0.0676395804180239
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    272000  -8446.8431     -8446.8431     -8512.2349     -8512.2349      253.07319      253.07319      23718.772      23718.772     -1852.4564     -1852.4564    
    273000  -8446.3954     -8446.3954     -8511.6874     -8511.6874      252.68666      252.68666      23659.142      23659.142      2631.596       2631.596     
Loop time of 63.6539 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.357 ns/day, 17.682 hours/ns, 15.710 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.572     | 63.572     | 63.572     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014889   | 0.014889   | 0.014889   |   0.0 |  0.02
Output  | 2.659e-05  | 2.659e-05  | 2.659e-05  |   0.0 |  0.00
Modify  | 0.061694   | 0.061694   | 0.061694   |   0.0 |  0.10
Other   |            | 0.005167   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214598 ave      214598 max      214598 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214598
Ave neighs/atom = 107.299
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.915318744014, Press = 0.0704155525707319
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    273000  -8446.3954     -8446.3954     -8511.6874     -8511.6874      252.68666      252.68666      23659.142      23659.142      2631.596       2631.596     
    274000  -8446.9239     -8446.9239     -8512.2699     -8512.2699      252.89578      252.89578      23728.596      23728.596     -2567.8443     -2567.8443    
Loop time of 63.8252 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.354 ns/day, 17.729 hours/ns, 15.668 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.744     | 63.744     | 63.744     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014849   | 0.014849   | 0.014849   |   0.0 |  0.02
Output  | 2.6009e-05 | 2.6009e-05 | 2.6009e-05 |   0.0 |  0.00
Modify  | 0.061583   | 0.061583   | 0.061583   |   0.0 |  0.10
Other   |            | 0.005179   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215196 ave      215196 max      215196 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215196
Ave neighs/atom = 107.598
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.909397462448, Press = -0.152967517576492
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    274000  -8446.9239     -8446.9239     -8512.2699     -8512.2699      252.89578      252.89578      23728.596      23728.596     -2567.8443     -2567.8443    
    275000  -8446.813      -8446.813      -8510.3616     -8510.3616      245.93974      245.93974      23660.504      23660.504      2554.2484      2554.2484    
Loop time of 63.7321 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.703 hours/ns, 15.691 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.65      | 63.65      | 63.65      |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01491    | 0.01491    | 0.01491    |   0.0 |  0.02
Output  | 2.6891e-05 | 2.6891e-05 | 2.6891e-05 |   0.0 |  0.00
Modify  | 0.061819   | 0.061819   | 0.061819   |   0.0 |  0.10
Other   |            | 0.005173   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214396 ave      214396 max      214396 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214396
Ave neighs/atom = 107.198
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.911831206485, Press = 0.373444098512805
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    275000  -8446.813      -8446.813      -8510.3616     -8510.3616      245.93974      245.93974      23660.504      23660.504      2554.2484      2554.2484    
    276000  -8449.0244     -8449.0244     -8512.5332     -8512.5332      245.78534      245.78534      23689.456      23689.456      37.59339       37.59339     
Loop time of 63.7363 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.705 hours/ns, 15.690 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.655     | 63.655     | 63.655     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014871   | 0.014871   | 0.014871   |   0.0 |  0.02
Output  | 2.6721e-05 | 2.6721e-05 | 2.6721e-05 |   0.0 |  0.00
Modify  | 0.06159    | 0.06159    | 0.06159    |   0.0 |  0.10
Other   |            | 0.005181   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214884 ave      214884 max      214884 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214884
Ave neighs/atom = 107.442
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.911638150337, Press = -0.131558836693538
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    276000  -8449.0244     -8449.0244     -8512.5332     -8512.5332      245.78534      245.78534      23689.456      23689.456      37.59339       37.59339     
    277000  -8444.9198     -8444.9198     -8511.2872     -8511.2872      256.84875      256.84875      23710.761      23710.761     -1011.05       -1011.05      
Loop time of 63.7135 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.698 hours/ns, 15.695 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.632     | 63.632     | 63.632     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014983   | 0.014983   | 0.014983   |   0.0 |  0.02
Output  | 3.0758e-05 | 3.0758e-05 | 3.0758e-05 |   0.0 |  0.00
Modify  | 0.061704   | 0.061704   | 0.061704   |   0.0 |  0.10
Other   |            | 0.005157   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214820 ave      214820 max      214820 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214820
Ave neighs/atom = 107.41
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.912941696356, Press = 0.111256520690075
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    277000  -8444.9198     -8444.9198     -8511.2872     -8511.2872      256.84875      256.84875      23710.761      23710.761     -1011.05       -1011.05      
    278000  -8448.3983     -8448.3983     -8512.4705     -8512.4705      247.96628      247.96628      23673.587      23673.587      1309.3026      1309.3026    
Loop time of 63.5952 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.359 ns/day, 17.665 hours/ns, 15.724 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.514     | 63.514     | 63.514     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014874   | 0.014874   | 0.014874   |   0.0 |  0.02
Output  | 2.661e-05  | 2.661e-05  | 2.661e-05  |   0.0 |  0.00
Modify  | 0.061584   | 0.061584   | 0.061584   |   0.0 |  0.10
Other   |            | 0.00517    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214436 ave      214436 max      214436 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214436
Ave neighs/atom = 107.218
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.913780430182, Press = 0.0350236590026726
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    278000  -8448.3983     -8448.3983     -8512.4705     -8512.4705      247.96628      247.96628      23673.587      23673.587      1309.3026      1309.3026    
    279000  -8446.459      -8446.459      -8511.9358     -8511.9358      253.40189      253.40189      23717.468      23717.468     -1667.1405     -1667.1405    
Loop time of 63.7636 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.355 ns/day, 17.712 hours/ns, 15.683 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.682     | 63.682     | 63.682     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014864   | 0.014864   | 0.014864   |   0.0 |  0.02
Output  | 5.0846e-05 | 5.0846e-05 | 5.0846e-05 |   0.0 |  0.00
Modify  | 0.061721   | 0.061721   | 0.061721   |   0.0 |  0.10
Other   |            | 0.005166   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214974 ave      214974 max      214974 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214974
Ave neighs/atom = 107.487
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.918880874452, Press = -0.0483560660824678
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    279000  -8446.459      -8446.459      -8511.9358     -8511.9358      253.40189      253.40189      23717.468      23717.468     -1667.1405     -1667.1405    
    280000  -8448.3524     -8448.3524     -8514.4524     -8514.4524      255.81361      255.81361      23647.919      23647.919      2810.5128      2810.5128    
Loop time of 63.6321 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.676 hours/ns, 15.715 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.55      | 63.55      | 63.55      |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01491    | 0.01491    | 0.01491    |   0.0 |  0.02
Output  | 2.7092e-05 | 2.7092e-05 | 2.7092e-05 |   0.0 |  0.00
Modify  | 0.061632   | 0.061632   | 0.061632   |   0.0 |  0.10
Other   |            | 0.005158   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214568 ave      214568 max      214568 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214568
Ave neighs/atom = 107.284
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.920806326985, Press = 0.316417048027216
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    280000  -8448.3524     -8448.3524     -8514.4524     -8514.4524      255.81361      255.81361      23647.919      23647.919      2810.5128      2810.5128    
    281000  -8446.2536     -8446.2536     -8512.316      -8512.316       255.66853      255.66853      23705.242      23705.242     -888.77712     -888.77712    
Loop time of 63.7552 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.355 ns/day, 17.710 hours/ns, 15.685 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.673     | 63.673     | 63.673     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014891   | 0.014891   | 0.014891   |   0.0 |  0.02
Output  | 2.8073e-05 | 2.8073e-05 | 2.8073e-05 |   0.0 |  0.00
Modify  | 0.061673   | 0.061673   | 0.061673   |   0.0 |  0.10
Other   |            | 0.005174   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215640 ave      215640 max      215640 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215640
Ave neighs/atom = 107.82
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.925305178361, Press = -0.222713738234297
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    281000  -8446.2536     -8446.2536     -8512.316      -8512.316       255.66853      255.66853      23705.242      23705.242     -888.77712     -888.77712    
    282000  -8448.7131     -8448.7131     -8512.5244     -8512.5244      246.95639      246.95639      23690.991      23690.991     -5.9448133     -5.9448133    
Loop time of 63.6009 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.667 hours/ns, 15.723 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.519     | 63.519     | 63.519     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014867   | 0.014867   | 0.014867   |   0.0 |  0.02
Output  | 2.6811e-05 | 2.6811e-05 | 2.6811e-05 |   0.0 |  0.00
Modify  | 0.061623   | 0.061623   | 0.061623   |   0.0 |  0.10
Other   |            | 0.005169   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214660 ave      214660 max      214660 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214660
Ave neighs/atom = 107.33
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.927865067932, Press = 0.219853701805936
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    282000  -8448.7131     -8448.7131     -8512.5244     -8512.5244      246.95639      246.95639      23690.991      23690.991     -5.9448133     -5.9448133    
    283000  -8445.5283     -8445.5283     -8512.8917     -8512.8917      260.70338      260.70338      23681.16       23681.16       795.49165      795.49165    
Loop time of 63.6908 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.357 ns/day, 17.692 hours/ns, 15.701 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.609     | 63.609     | 63.609     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01489    | 0.01489    | 0.01489    |   0.0 |  0.02
Output  | 2.682e-05  | 2.682e-05  | 2.682e-05  |   0.0 |  0.00
Modify  | 0.06172    | 0.06172    | 0.06172    |   0.0 |  0.10
Other   |            | 0.005164   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214948 ave      214948 max      214948 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214948
Ave neighs/atom = 107.474
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.931700691594, Press = -0.0390050801913301
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    283000  -8445.5283     -8445.5283     -8512.8917     -8512.8917      260.70338      260.70338      23681.16       23681.16       795.49165      795.49165    
    284000  -8447.4452     -8447.4452     -8513.0418     -8513.0418      253.86561      253.86561      23711.309      23711.309     -1504.5587     -1504.5587    
Loop time of 63.6674 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.357 ns/day, 17.685 hours/ns, 15.707 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.586     | 63.586     | 63.586     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014848   | 0.014848   | 0.014848   |   0.0 |  0.02
Output  | 2.7682e-05 | 2.7682e-05 | 2.7682e-05 |   0.0 |  0.00
Modify  | 0.061689   | 0.061689   | 0.061689   |   0.0 |  0.10
Other   |            | 0.005169   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215048 ave      215048 max      215048 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215048
Ave neighs/atom = 107.524
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.932313500954, Press = 0.0417018357457885
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    284000  -8447.4452     -8447.4452     -8513.0418     -8513.0418      253.86561      253.86561      23711.309      23711.309     -1504.5587     -1504.5587    
    285000  -8446.3389     -8446.3389     -8512.8167     -8512.8167      257.27567      257.27567      23652.073      23652.073      2772.0498      2772.0498    
Loop time of 63.6489 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.357 ns/day, 17.680 hours/ns, 15.711 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.567     | 63.567     | 63.567     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014852   | 0.014852   | 0.014852   |   0.0 |  0.02
Output  | 2.635e-05  | 2.635e-05  | 2.635e-05  |   0.0 |  0.00
Modify  | 0.061647   | 0.061647   | 0.061647   |   0.0 |  0.10
Other   |            | 0.005141   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214628 ave      214628 max      214628 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214628
Ave neighs/atom = 107.314
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.93379408746, Press = 0.191571017062836
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    285000  -8446.3389     -8446.3389     -8512.8167     -8512.8167      257.27567      257.27567      23652.073      23652.073      2772.0498      2772.0498    
    286000  -8448.1574     -8448.1574     -8514.7642     -8514.7642      257.77529      257.77529      23721.396      23721.396     -2413.6593     -2413.6593    
Loop time of 63.6273 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.674 hours/ns, 15.717 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.546     | 63.546     | 63.546     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014852   | 0.014852   | 0.014852   |   0.0 |  0.02
Output  | 2.649e-05  | 2.649e-05  | 2.649e-05  |   0.0 |  0.00
Modify  | 0.061644   | 0.061644   | 0.061644   |   0.0 |  0.10
Other   |            | 0.005149   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215182 ave      215182 max      215182 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215182
Ave neighs/atom = 107.591
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.929998108959, Press = -0.234796541067606
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    286000  -8448.1574     -8448.1574     -8514.7642     -8514.7642      257.77529      257.77529      23721.396      23721.396     -2413.6593     -2413.6593    
    287000  -8448.3464     -8448.3464     -8511.8059     -8511.8059      245.59486      245.59486      23685.078      23685.078      527.94164      527.94164    
Loop time of 63.678 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.357 ns/day, 17.688 hours/ns, 15.704 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.596     | 63.596     | 63.596     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014905   | 0.014905   | 0.014905   |   0.0 |  0.02
Output  | 2.635e-05  | 2.635e-05  | 2.635e-05  |   0.0 |  0.00
Modify  | 0.061689   | 0.061689   | 0.061689   |   0.0 |  0.10
Other   |            | 0.005155   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214646 ave      214646 max      214646 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214646
Ave neighs/atom = 107.323
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.92972197143, Press = 0.216420071023046
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    287000  -8448.3464     -8448.3464     -8511.8059     -8511.8059      245.59486      245.59486      23685.078      23685.078      527.94164      527.94164    
    288000  -8449.5136     -8449.5136     -8513.6329     -8513.6329      248.14832      248.14832      23680.344      23680.344      614.65397      614.65397    
Loop time of 63.7057 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.696 hours/ns, 15.697 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.624     | 63.624     | 63.624     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014834   | 0.014834   | 0.014834   |   0.0 |  0.02
Output  | 2.644e-05  | 2.644e-05  | 2.644e-05  |   0.0 |  0.00
Modify  | 0.061546   | 0.061546   | 0.061546   |   0.0 |  0.10
Other   |            | 0.005157   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214916 ave      214916 max      214916 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214916
Ave neighs/atom = 107.458
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.916619645602, Press = -0.0720192618208833
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    288000  -8449.5136     -8449.5136     -8513.6329     -8513.6329      248.14832      248.14832      23680.344      23680.344      614.65397      614.65397    
    289000  -8446.3372     -8446.3372     -8514.7163     -8514.7163      264.63399      264.63399      23719.013      23719.013     -2180.1424     -2180.1424    
Loop time of 63.8009 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.354 ns/day, 17.722 hours/ns, 15.674 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.719     | 63.719     | 63.719     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014962   | 0.014962   | 0.014962   |   0.0 |  0.02
Output  | 2.656e-05  | 2.656e-05  | 2.656e-05  |   0.0 |  0.00
Modify  | 0.061618   | 0.061618   | 0.061618   |   0.0 |  0.10
Other   |            | 0.005172   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215204 ave      215204 max      215204 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215204
Ave neighs/atom = 107.602
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.912634024069, Press = 0.139828245975409
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    289000  -8446.3372     -8446.3372     -8514.7163     -8514.7163      264.63399      264.63399      23719.013      23719.013     -2180.1424     -2180.1424    
    290000  -8450.0897     -8450.0897     -8514.2068     -8514.2068      248.13996      248.13996      23660.37       23660.37       1938.2302      1938.2302    
Loop time of 63.7442 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.355 ns/day, 17.707 hours/ns, 15.688 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.662     | 63.662     | 63.662     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014965   | 0.014965   | 0.014965   |   0.0 |  0.02
Output  | 2.669e-05  | 2.669e-05  | 2.669e-05  |   0.0 |  0.00
Modify  | 0.061623   | 0.061623   | 0.061623   |   0.0 |  0.10
Other   |            | 0.005159   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214816 ave      214816 max      214816 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214816
Ave neighs/atom = 107.408
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.907205415188, Press = 0.100085544807759
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    290000  -8450.0897     -8450.0897     -8514.2068     -8514.2068      248.13996      248.13996      23660.37       23660.37       1938.2302      1938.2302    
    291000  -8445.3781     -8445.3781     -8511.4736     -8511.4736      255.79628      255.79628      23743.384      23743.384     -3422.8353     -3422.8353    
Loop time of 63.6634 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.357 ns/day, 17.684 hours/ns, 15.708 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.582     | 63.582     | 63.582     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014849   | 0.014849   | 0.014849   |   0.0 |  0.02
Output  | 2.668e-05  | 2.668e-05  | 2.668e-05  |   0.0 |  0.00
Modify  | 0.061736   | 0.061736   | 0.061736   |   0.0 |  0.10
Other   |            | 0.005161   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215410 ave      215410 max      215410 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215410
Ave neighs/atom = 107.705
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.905825685819, Press = -0.213707988376013
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    291000  -8445.3781     -8445.3781     -8511.4736     -8511.4736      255.79628      255.79628      23743.384      23743.384     -3422.8353     -3422.8353    
    292000  -8447.1457     -8447.1457     -8512.3756     -8512.3756      252.44647      252.44647      23665.354      23665.354      1962.6116      1962.6116    
Loop time of 63.5896 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.359 ns/day, 17.664 hours/ns, 15.726 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.508     | 63.508     | 63.508     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014862   | 0.014862   | 0.014862   |   0.0 |  0.02
Output  | 2.6149e-05 | 2.6149e-05 | 2.6149e-05 |   0.0 |  0.00
Modify  | 0.061624   | 0.061624   | 0.061624   |   0.0 |  0.10
Other   |            | 0.005151   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       213832 ave      213832 max      213832 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 213832
Ave neighs/atom = 106.916
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 = 252.901377251723, Press = 0.430874073234896
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    292000  -8447.1457     -8447.1457     -8512.3756     -8512.3756      252.44647      252.44647      23665.354      23665.354      1962.6116      1962.6116    
    293000  -8449.6643     -8449.6643     -8515.6841     -8515.6841      255.50337      255.50337      23690.055      23690.055     -357.39387     -357.39387    
Loop time of 63.7339 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.704 hours/ns, 15.690 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.652     | 63.652     | 63.652     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014859   | 0.014859   | 0.014859   |   0.0 |  0.02
Output  | 2.642e-05  | 2.642e-05  | 2.642e-05  |   0.0 |  0.00
Modify  | 0.061675   | 0.061675   | 0.061675   |   0.0 |  0.10
Other   |            | 0.005156   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215368 ave      215368 max      215368 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215368
Ave neighs/atom = 107.684
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.899777888755, Press = -0.0910671789191837
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    293000  -8449.6643     -8449.6643     -8515.6841     -8515.6841      255.50337      255.50337      23690.055      23690.055     -357.39387     -357.39387    
    294000  -8446.2547     -8446.2547     -8513.8209     -8513.8209      261.48826      261.48826      23703.314      23703.314     -987.71527     -987.71527    
Loop time of 63.6275 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.674 hours/ns, 15.716 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.546     | 63.546     | 63.546     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014865   | 0.014865   | 0.014865   |   0.0 |  0.02
Output  | 2.652e-05  | 2.652e-05  | 2.652e-05  |   0.0 |  0.00
Modify  | 0.061654   | 0.061654   | 0.061654   |   0.0 |  0.10
Other   |            | 0.005165   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215134 ave      215134 max      215134 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215134
Ave neighs/atom = 107.567
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.89231375432, Press = 0.209689058745826
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    294000  -8446.2547     -8446.2547     -8513.8209     -8513.8209      261.48826      261.48826      23703.314      23703.314     -987.71527     -987.71527    
    295000  -8448.356      -8448.356      -8513.4345     -8513.4345      251.86065      251.86065      23664          23664          1748.1107      1748.1107    
Loop time of 63.547 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.360 ns/day, 17.652 hours/ns, 15.736 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.465     | 63.465     | 63.465     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014863   | 0.014863   | 0.014863   |   0.0 |  0.02
Output  | 2.6751e-05 | 2.6751e-05 | 2.6751e-05 |   0.0 |  0.00
Modify  | 0.06163    | 0.06163    | 0.06163    |   0.0 |  0.10
Other   |            | 0.005149   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214604 ave      214604 max      214604 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214604
Ave neighs/atom = 107.302
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.892851372507, Press = -0.0455611107411654
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    295000  -8448.356      -8448.356      -8513.4345     -8513.4345      251.86065      251.86065      23664          23664          1748.1107      1748.1107    
    296000  -8445.8277     -8445.8277     -8512.0418     -8512.0418      256.25572      256.25572      23723.108      23723.108     -2073.4999     -2073.4999    
Loop time of 63.6715 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.357 ns/day, 17.687 hours/ns, 15.706 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.59      | 63.59      | 63.59      |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014897   | 0.014897   | 0.014897   |   0.0 |  0.02
Output  | 2.7542e-05 | 2.7542e-05 | 2.7542e-05 |   0.0 |  0.00
Modify  | 0.061711   | 0.061711   | 0.061711   |   0.0 |  0.10
Other   |            | 0.005161   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215142 ave      215142 max      215142 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215142
Ave neighs/atom = 107.571
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.893918259155, Press = 0.0931726586657065
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    296000  -8445.8277     -8445.8277     -8512.0418     -8512.0418      256.25572      256.25572      23723.108      23723.108     -2073.4999     -2073.4999    
    297000  -8446.5069     -8446.5069     -8511.4968     -8511.4968      251.51788      251.51788      23675.03       23675.03       1353.3738      1353.3738    
Loop time of 63.6939 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.693 hours/ns, 15.700 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.612     | 63.612     | 63.612     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014995   | 0.014995   | 0.014995   |   0.0 |  0.02
Output  | 2.7111e-05 | 2.7111e-05 | 2.7111e-05 |   0.0 |  0.00
Modify  | 0.061673   | 0.061673   | 0.061673   |   0.0 |  0.10
Other   |            | 0.00516    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214494 ave      214494 max      214494 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214494
Ave neighs/atom = 107.247
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.889733845532, Press = 0.115273035188277
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    297000  -8446.5069     -8446.5069     -8511.4968     -8511.4968      251.51788      251.51788      23675.03       23675.03       1353.3738      1353.3738    
    298000  -8451.137      -8451.137      -8513.8867     -8513.8867      242.84786      242.84786      23688.019      23688.019     -134.75013     -134.75013    
Loop time of 63.7331 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.704 hours/ns, 15.690 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.651     | 63.651     | 63.651     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01488    | 0.01488    | 0.01488    |   0.0 |  0.02
Output  | 2.7081e-05 | 2.7081e-05 | 2.7081e-05 |   0.0 |  0.00
Modify  | 0.061686   | 0.061686   | 0.061686   |   0.0 |  0.10
Other   |            | 0.00516    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214812 ave      214812 max      214812 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214812
Ave neighs/atom = 107.406
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.884287342781, Press = 0.0436645843194398
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    298000  -8451.137      -8451.137      -8513.8867     -8513.8867      242.84786      242.84786      23688.019      23688.019     -134.75013     -134.75013    
    299000  -8445.4642     -8445.4642     -8512.4239     -8512.4239      259.14102      259.14102      23696.062      23696.062     -308.85635     -308.85635    
Loop time of 63.731 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.703 hours/ns, 15.691 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.649     | 63.649     | 63.649     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01494    | 0.01494    | 0.01494    |   0.0 |  0.02
Output  | 2.7341e-05 | 2.7341e-05 | 2.7341e-05 |   0.0 |  0.00
Modify  | 0.061641   | 0.061641   | 0.061641   |   0.0 |  0.10
Other   |            | 0.005154   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214824 ave      214824 max      214824 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214824
Ave neighs/atom = 107.412
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.881785065009, Press = 0.0715288805854984
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    299000  -8445.4642     -8445.4642     -8512.4239     -8512.4239      259.14102      259.14102      23696.062      23696.062     -308.85635     -308.85635    
    300000  -8448.2438     -8448.2438     -8513.7645     -8513.7645      253.57198      253.57198      23695.717      23695.717     -523.82949     -523.82949    
Loop time of 63.7048 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.696 hours/ns, 15.697 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.623     | 63.623     | 63.623     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01494    | 0.01494    | 0.01494    |   0.0 |  0.02
Output  | 2.5929e-05 | 2.5929e-05 | 2.5929e-05 |   0.0 |  0.00
Modify  | 0.061652   | 0.061652   | 0.061652   |   0.0 |  0.10
Other   |            | 0.005169   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214308 ave      214308 max      214308 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214308
Ave neighs/atom = 107.154
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.889998655662, Press = 0.049717011902327
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    300000  -8448.2438     -8448.2438     -8513.7645     -8513.7645      253.57198      253.57198      23695.717      23695.717     -523.82949     -523.82949    
    301000  -8445.4217     -8445.4217     -8511.3391     -8511.3391      255.10724      255.10724      23677.751      23677.751      1289.3913      1289.3913    
Loop time of 63.7155 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.699 hours/ns, 15.695 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.634     | 63.634     | 63.634     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014898   | 0.014898   | 0.014898   |   0.0 |  0.02
Output  | 4.1808e-05 | 4.1808e-05 | 4.1808e-05 |   0.0 |  0.00
Modify  | 0.061699   | 0.061699   | 0.061699   |   0.0 |  0.10
Other   |            | 0.005157   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214690 ave      214690 max      214690 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214690
Ave neighs/atom = 107.345
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.892018878197, Press = 0.103177679555747
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    301000  -8445.4217     -8445.4217     -8511.3391     -8511.3391      255.10724      255.10724      23677.751      23677.751      1289.3913      1289.3913    
    302000  -8447.6261     -8447.6261     -8512.4756     -8512.4756      250.97438      250.97438      23706.509      23706.509     -1053.9705     -1053.9705    
Loop time of 63.5702 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.359 ns/day, 17.658 hours/ns, 15.731 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.488     | 63.488     | 63.488     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014921   | 0.014921   | 0.014921   |   0.0 |  0.02
Output  | 4.0997e-05 | 4.0997e-05 | 4.0997e-05 |   0.0 |  0.00
Modify  | 0.06171    | 0.06171    | 0.06171    |   0.0 |  0.10
Other   |            | 0.005152   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214690 ave      214690 max      214690 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214690
Ave neighs/atom = 107.345
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.901116810452, Press = -0.100961115844956
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    302000  -8447.6261     -8447.6261     -8512.4756     -8512.4756      250.97438      250.97438      23706.509      23706.509     -1053.9705     -1053.9705    
    303000  -8445.2528     -8445.2528     -8509.841      -8509.841       249.96326      249.96326      23693.649      23693.649      366.24713      366.24713    
Loop time of 63.7119 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.698 hours/ns, 15.696 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.63      | 63.63      | 63.63      |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014979   | 0.014979   | 0.014979   |   0.0 |  0.02
Output  | 4.0767e-05 | 4.0767e-05 | 4.0767e-05 |   0.0 |  0.00
Modify  | 0.06166    | 0.06166    | 0.06166    |   0.0 |  0.10
Other   |            | 0.005145   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214534 ave      214534 max      214534 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214534
Ave neighs/atom = 107.267
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.903568431552, Press = 0.271309120389877
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    303000  -8445.2528     -8445.2528     -8509.841      -8509.841       249.96326      249.96326      23693.649      23693.649      366.24713      366.24713    
    304000  -8447.9018     -8447.9018     -8512.8728     -8512.8728      251.44462      251.44462      23676.4        23676.4        1076.7372      1076.7372    
Loop time of 63.7047 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.696 hours/ns, 15.697 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.623     | 63.623     | 63.623     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014858   | 0.014858   | 0.014858   |   0.0 |  0.02
Output  | 4.0817e-05 | 4.0817e-05 | 4.0817e-05 |   0.0 |  0.00
Modify  | 0.06177    | 0.06177    | 0.06177    |   0.0 |  0.10
Other   |            | 0.005166   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214472 ave      214472 max      214472 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214472
Ave neighs/atom = 107.236
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.908057967626, Press = -0.163195318264032
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    304000  -8447.9018     -8447.9018     -8512.8728     -8512.8728      251.44462      251.44462      23676.4        23676.4        1076.7372      1076.7372    
    305000  -8447.3009     -8447.3009     -8512.6547     -8512.6547      252.92608      252.92608      23717.777      23717.777     -1920.6216     -1920.6216    
Loop time of 63.6382 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.677 hours/ns, 15.714 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.556     | 63.556     | 63.556     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014849   | 0.014849   | 0.014849   |   0.0 |  0.02
Output  | 4.1017e-05 | 4.1017e-05 | 4.1017e-05 |   0.0 |  0.00
Modify  | 0.061725   | 0.061725   | 0.061725   |   0.0 |  0.10
Other   |            | 0.00514    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215164 ave      215164 max      215164 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215164
Ave neighs/atom = 107.582
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.910228348921, Press = 0.175921326308675
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    305000  -8447.3009     -8447.3009     -8512.6547     -8512.6547      252.92608      252.92608      23717.777      23717.777     -1920.6216     -1920.6216    
    306000  -8450.4088     -8450.4088     -8515.2284     -8515.2284      250.8582       250.8582       23667.268      23667.268      1295.2277      1295.2277    
Loop time of 63.7012 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.695 hours/ns, 15.698 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.619     | 63.619     | 63.619     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014835   | 0.014835   | 0.014835   |   0.0 |  0.02
Output  | 4.0356e-05 | 4.0356e-05 | 4.0356e-05 |   0.0 |  0.00
Modify  | 0.061694   | 0.061694   | 0.061694   |   0.0 |  0.10
Other   |            | 0.005172   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214646 ave      214646 max      214646 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214646
Ave neighs/atom = 107.323
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.903707886812, Press = 0.0274185424896691
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    306000  -8450.4088     -8450.4088     -8515.2284     -8515.2284      250.8582       250.8582       23667.268      23667.268      1295.2277      1295.2277    
    307000  -8446.4595     -8446.4595     -8513.2948     -8513.2948      258.65963      258.65963      23715.334      23715.334     -1595.4179     -1595.4179    
Loop time of 63.7065 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.696 hours/ns, 15.697 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.625     | 63.625     | 63.625     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01484    | 0.01484    | 0.01484    |   0.0 |  0.02
Output  | 4.3121e-05 | 4.3121e-05 | 4.3121e-05 |   0.0 |  0.00
Modify  | 0.06176    | 0.06176    | 0.06176    |   0.0 |  0.10
Other   |            | 0.005142   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215762 ave      215762 max      215762 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215762
Ave neighs/atom = 107.881
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.901451773476, Press = 0.0485598877299163
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    307000  -8446.4595     -8446.4595     -8513.2948     -8513.2948      258.65963      258.65963      23715.334      23715.334     -1595.4179     -1595.4179    
    308000  -8448.0993     -8448.0993     -8513.8893     -8513.8893      254.61407      254.61407      23670.03       23670.03       1410.5981      1410.5981    
Loop time of 63.6438 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.679 hours/ns, 15.712 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.562     | 63.562     | 63.562     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014974   | 0.014974   | 0.014974   |   0.0 |  0.02
Output  | 4.1358e-05 | 4.1358e-05 | 4.1358e-05 |   0.0 |  0.00
Modify  | 0.061605   | 0.061605   | 0.061605   |   0.0 |  0.10
Other   |            | 0.005161   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214626 ave      214626 max      214626 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214626
Ave neighs/atom = 107.313
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.898628498667, Press = 0.103094572722122
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    308000  -8448.0993     -8448.0993     -8513.8893     -8513.8893      254.61407      254.61407      23670.03       23670.03       1410.5981      1410.5981    
    309000  -8444.6878     -8444.6878     -8511.523      -8511.523       258.65933      258.65933      23704.505      23704.505     -554.63327     -554.63327    
Loop time of 63.7286 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.702 hours/ns, 15.692 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.647     | 63.647     | 63.647     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014861   | 0.014861   | 0.014861   |   0.0 |  0.02
Output  | 3.9975e-05 | 3.9975e-05 | 3.9975e-05 |   0.0 |  0.00
Modify  | 0.06171    | 0.06171    | 0.06171    |   0.0 |  0.10
Other   |            | 0.005176   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215332 ave      215332 max      215332 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215332
Ave neighs/atom = 107.666
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.899601762149, Press = -0.0506301908064842
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    309000  -8444.6878     -8444.6878     -8511.523      -8511.523       258.65933      258.65933      23704.505      23704.505     -554.63327     -554.63327    
    310000  -8447.7733     -8447.7733     -8512.867      -8512.867       251.91917      251.91917      23694.856      23694.856     -239.86811     -239.86811    
Loop time of 63.644 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.679 hours/ns, 15.712 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.562     | 63.562     | 63.562     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014859   | 0.014859   | 0.014859   |   0.0 |  0.02
Output  | 4.1088e-05 | 4.1088e-05 | 4.1088e-05 |   0.0 |  0.00
Modify  | 0.061761   | 0.061761   | 0.061761   |   0.0 |  0.10
Other   |            | 0.005147   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214654 ave      214654 max      214654 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214654
Ave neighs/atom = 107.327
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.905337183234, Press = 0.171021157587136
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    310000  -8447.7733     -8447.7733     -8512.867      -8512.867       251.91917      251.91917      23694.856      23694.856     -239.86811     -239.86811    
    311000  -8446.0277     -8446.0277     -8511.7645     -8511.7645      254.40809      254.40809      23665.432      23665.432      2128.7274      2128.7274    
Loop time of 63.5689 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.359 ns/day, 17.658 hours/ns, 15.731 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.487     | 63.487     | 63.487     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014817   | 0.014817   | 0.014817   |   0.0 |  0.02
Output  | 4.1158e-05 | 4.1158e-05 | 4.1158e-05 |   0.0 |  0.00
Modify  | 0.061617   | 0.061617   | 0.061617   |   0.0 |  0.10
Other   |            | 0.005137   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214860 ave      214860 max      214860 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214860
Ave neighs/atom = 107.43
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.913819566336, Press = -0.158678628270067
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    311000  -8446.0277     -8446.0277     -8511.7645     -8511.7645      254.40809      254.40809      23665.432      23665.432      2128.7274      2128.7274    
    312000  -8447.7455     -8447.7455     -8512.1551     -8512.1551      249.27169      249.27169      23722.319      23722.319     -2172.1588     -2172.1588    
Loop time of 63.6643 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.357 ns/day, 17.685 hours/ns, 15.707 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.583     | 63.583     | 63.583     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014886   | 0.014886   | 0.014886   |   0.0 |  0.02
Output  | 4.0376e-05 | 4.0376e-05 | 4.0376e-05 |   0.0 |  0.00
Modify  | 0.061645   | 0.061645   | 0.061645   |   0.0 |  0.10
Other   |            | 0.005145   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214986 ave      214986 max      214986 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214986
Ave neighs/atom = 107.493
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.916056888456, Press = 0.170249621771208
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    312000  -8447.7455     -8447.7455     -8512.1551     -8512.1551      249.27169      249.27169      23722.319      23722.319     -2172.1588     -2172.1588    
    313000  -8447.4546     -8447.4546     -8513.8912     -8513.8912      257.11659      257.11659      23670.7        23670.7        1308.4772      1308.4772    
Loop time of 63.5791 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.359 ns/day, 17.661 hours/ns, 15.728 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.497     | 63.497     | 63.497     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014844   | 0.014844   | 0.014844   |   0.0 |  0.02
Output  | 4.0807e-05 | 4.0807e-05 | 4.0807e-05 |   0.0 |  0.00
Modify  | 0.061695   | 0.061695   | 0.061695   |   0.0 |  0.10
Other   |            | 0.005165   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214396 ave      214396 max      214396 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214396
Ave neighs/atom = 107.198
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.917129688879, Press = 0.0376437227261145
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    313000  -8447.4546     -8447.4546     -8513.8912     -8513.8912      257.11659      257.11659      23670.7        23670.7        1308.4772      1308.4772    
    314000  -8445.1145     -8445.1145     -8512.0886     -8512.0886      259.19665      259.19665      23710.756      23710.756     -1166.6927     -1166.6927    
Loop time of 63.707 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.696 hours/ns, 15.697 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.625     | 63.625     | 63.625     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014898   | 0.014898   | 0.014898   |   0.0 |  0.02
Output  | 4.1177e-05 | 4.1177e-05 | 4.1177e-05 |   0.0 |  0.00
Modify  | 0.061679   | 0.061679   | 0.061679   |   0.0 |  0.10
Other   |            | 0.005164   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215094 ave      215094 max      215094 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215094
Ave neighs/atom = 107.547
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.912862946033, Press = 0.0325023828814959
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    314000  -8445.1145     -8445.1145     -8512.0886     -8512.0886      259.19665      259.19665      23710.756      23710.756     -1166.6927     -1166.6927    
    315000  -8447.9695     -8447.9695     -8513.821      -8513.821       254.85228      254.85228      23684.765      23684.765      316.60571      316.60571    
Loop time of 63.7339 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.704 hours/ns, 15.690 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.652     | 63.652     | 63.652     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014894   | 0.014894   | 0.014894   |   0.0 |  0.02
Output  | 4.1378e-05 | 4.1378e-05 | 4.1378e-05 |   0.0 |  0.00
Modify  | 0.061705   | 0.061705   | 0.061705   |   0.0 |  0.10
Other   |            | 0.005149   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214390 ave      214390 max      214390 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214390
Ave neighs/atom = 107.195
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.914566138506, Press = 0.108234862519378
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    315000  -8447.9695     -8447.9695     -8513.821      -8513.821       254.85228      254.85228      23684.765      23684.765      316.60571      316.60571    
    316000  -8444.5326     -8444.5326     -8510.7783     -8510.7783      256.37776      256.37776      23692.503      23692.503      366.88663      366.88663    
Loop time of 63.6288 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.675 hours/ns, 15.716 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.547     | 63.547     | 63.547     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014888   | 0.014888   | 0.014888   |   0.0 |  0.02
Output  | 4.0787e-05 | 4.0787e-05 | 4.0787e-05 |   0.0 |  0.00
Modify  | 0.06166    | 0.06166    | 0.06166    |   0.0 |  0.10
Other   |            | 0.005162   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214760 ave      214760 max      214760 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214760
Ave neighs/atom = 107.38
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.922540106302, Press = -0.0312760638953832
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    316000  -8444.5326     -8444.5326     -8510.7783     -8510.7783      256.37776      256.37776      23692.503      23692.503      366.88663      366.88663    
    317000  -8448.2444     -8448.2444     -8514.5196     -8514.5196      256.49171      256.49171      23711.755      23711.755     -1607.9065     -1607.9065    
Loop time of 63.5755 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.359 ns/day, 17.660 hours/ns, 15.729 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.494     | 63.494     | 63.494     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014915   | 0.014915   | 0.014915   |   0.0 |  0.02
Output  | 3.9554e-05 | 3.9554e-05 | 3.9554e-05 |   0.0 |  0.00
Modify  | 0.0617     | 0.0617     | 0.0617     |   0.0 |  0.10
Other   |            | 0.005151   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214440 ave      214440 max      214440 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214440
Ave neighs/atom = 107.22
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.928460777847, Press = 0.112376024406182
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    317000  -8448.2444     -8448.2444     -8514.5196     -8514.5196      256.49171      256.49171      23711.755      23711.755     -1607.9065     -1607.9065    
    318000  -8444.0504     -8444.0504     -8510.9903     -8510.9903      259.06454      259.06454      23664.148      23664.148      2382.4477      2382.4477    
Loop time of 63.6913 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.357 ns/day, 17.692 hours/ns, 15.701 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.609     | 63.609     | 63.609     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014906   | 0.014906   | 0.014906   |   0.0 |  0.02
Output  | 3.9755e-05 | 3.9755e-05 | 3.9755e-05 |   0.0 |  0.00
Modify  | 0.061717   | 0.061717   | 0.061717   |   0.0 |  0.10
Other   |            | 0.005159   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214640 ave      214640 max      214640 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214640
Ave neighs/atom = 107.32
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.934804929371, Press = 0.00123480986371197
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    318000  -8444.0504     -8444.0504     -8510.9903     -8510.9903      259.06454      259.06454      23664.148      23664.148      2382.4477      2382.4477    
    319000  -8447.0019     -8447.0019     -8511.9203     -8511.9203      251.24117      251.24117      23733.736      23733.736     -2875.283      -2875.283     
Loop time of 63.7996 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.354 ns/day, 17.722 hours/ns, 15.674 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.718     | 63.718     | 63.718     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014842   | 0.014842   | 0.014842   |   0.0 |  0.02
Output  | 4.4654e-05 | 4.4654e-05 | 4.4654e-05 |   0.0 |  0.00
Modify  | 0.061684   | 0.061684   | 0.061684   |   0.0 |  0.10
Other   |            | 0.005152   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215052 ave      215052 max      215052 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215052
Ave neighs/atom = 107.526
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.935290199935, Press = -0.0357953263613054
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    319000  -8447.0019     -8447.0019     -8511.9203     -8511.9203      251.24117      251.24117      23733.736      23733.736     -2875.283      -2875.283     
    320000  -8447.8625     -8447.8625     -8513.135      -8513.135       252.61119      252.61119      23671.56       23671.56       1503.5974      1503.5974    
Loop time of 63.6061 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.668 hours/ns, 15.722 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.524     | 63.524     | 63.524     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01486    | 0.01486    | 0.01486    |   0.0 |  0.02
Output  | 4.0807e-05 | 4.0807e-05 | 4.0807e-05 |   0.0 |  0.00
Modify  | 0.061784   | 0.061784   | 0.061784   |   0.0 |  0.10
Other   |            | 0.005146   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214156 ave      214156 max      214156 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214156
Ave neighs/atom = 107.078
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.932843220401, Press = 0.160634201136747
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    320000  -8447.8625     -8447.8625     -8513.135      -8513.135       252.61119      252.61119      23671.56       23671.56       1503.5974      1503.5974    
    321000  -8444.1624     -8444.1624     -8511.3716     -8511.3716      260.10636      260.10636      23699.469      23699.469     -209.07374     -209.07374    
Loop time of 63.7507 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.355 ns/day, 17.709 hours/ns, 15.686 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.669     | 63.669     | 63.669     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014854   | 0.014854   | 0.014854   |   0.0 |  0.02
Output  | 4.0526e-05 | 4.0526e-05 | 4.0526e-05 |   0.0 |  0.00
Modify  | 0.06166    | 0.06166    | 0.06166    |   0.0 |  0.10
Other   |            | 0.005154   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215372 ave      215372 max      215372 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215372
Ave neighs/atom = 107.686
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.933022425267, Press = -0.0700248732907644
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    321000  -8444.1624     -8444.1624     -8511.3716     -8511.3716      260.10636      260.10636      23699.469      23699.469     -209.07374     -209.07374    
    322000  -8448.9941     -8448.9941     -8513.5048     -8513.5048      249.6633       249.6633       23695.156      23695.156     -383.83582     -383.83582    
Loop time of 63.6088 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.669 hours/ns, 15.721 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.527     | 63.527     | 63.527     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014838   | 0.014838   | 0.014838   |   0.0 |  0.02
Output  | 4.1839e-05 | 4.1839e-05 | 4.1839e-05 |   0.0 |  0.00
Modify  | 0.06173    | 0.06173    | 0.06173    |   0.0 |  0.10
Other   |            | 0.005168   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214574 ave      214574 max      214574 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214574
Ave neighs/atom = 107.287
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.937999783427, Press = 0.0926349196790203
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    322000  -8448.9941     -8448.9941     -8513.5048     -8513.5048      249.6633       249.6633       23695.156      23695.156     -383.83582     -383.83582    
    323000  -8446.6615     -8446.6615     -8512.9109     -8512.9109      256.39214      256.39214      23683.857      23683.857      604.36424      604.36424    
Loop time of 63.7601 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.355 ns/day, 17.711 hours/ns, 15.684 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.678     | 63.678     | 63.678     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014854   | 0.014854   | 0.014854   |   0.0 |  0.02
Output  | 4.1138e-05 | 4.1138e-05 | 4.1138e-05 |   0.0 |  0.00
Modify  | 0.061764   | 0.061764   | 0.061764   |   0.0 |  0.10
Other   |            | 0.005162   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214992 ave      214992 max      214992 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214992
Ave neighs/atom = 107.496
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.937367890024, Press = 0.00849198339014632
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    323000  -8446.6615     -8446.6615     -8512.9109     -8512.9109      256.39214      256.39214      23683.857      23683.857      604.36424      604.36424    
    324000  -8444.5332     -8444.5332     -8512.0116     -8512.0116      261.14833      261.14833      23703.682      23703.682     -632.82578     -632.82578    
Loop time of 63.625 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.674 hours/ns, 15.717 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.543     | 63.543     | 63.543     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015028   | 0.015028   | 0.015028   |   0.0 |  0.02
Output  | 4.1157e-05 | 4.1157e-05 | 4.1157e-05 |   0.0 |  0.00
Modify  | 0.061724   | 0.061724   | 0.061724   |   0.0 |  0.10
Other   |            | 0.005149   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214778 ave      214778 max      214778 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214778
Ave neighs/atom = 107.389
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.939044290465, Press = 0.0599759135894189
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    324000  -8444.5332     -8444.5332     -8512.0116     -8512.0116      261.14833      261.14833      23703.682      23703.682     -632.82578     -632.82578    
    325000  -8446.6274     -8446.6274     -8512.0218     -8512.0218      253.08311      253.08311      23686.963      23686.963      454.85271      454.85271    
Loop time of 63.7129 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.698 hours/ns, 15.695 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.631     | 63.631     | 63.631     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014832   | 0.014832   | 0.014832   |   0.0 |  0.02
Output  | 4.1989e-05 | 4.1989e-05 | 4.1989e-05 |   0.0 |  0.00
Modify  | 0.061668   | 0.061668   | 0.061668   |   0.0 |  0.10
Other   |            | 0.00516    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214560 ave      214560 max      214560 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214560
Ave neighs/atom = 107.28
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.939888737297, Press = 0.0508318247462292
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    325000  -8446.6274     -8446.6274     -8512.0218     -8512.0218      253.08311      253.08311      23686.963      23686.963      454.85271      454.85271    
    326000  -8450.5129     -8450.5129     -8514.2831     -8514.2831      246.79739      246.79739      23693.166      23693.166     -376.92707     -376.92707    
Loop time of 63.7245 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.701 hours/ns, 15.693 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.643     | 63.643     | 63.643     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014828   | 0.014828   | 0.014828   |   0.0 |  0.02
Output  | 4.1338e-05 | 4.1338e-05 | 4.1338e-05 |   0.0 |  0.00
Modify  | 0.061722   | 0.061722   | 0.061722   |   0.0 |  0.10
Other   |            | 0.005181   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214760 ave      214760 max      214760 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214760
Ave neighs/atom = 107.38
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.938969484732, Press = -0.00351099951874956
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    326000  -8450.5129     -8450.5129     -8514.2831     -8514.2831      246.79739      246.79739      23693.166      23693.166     -376.92707     -376.92707    
    327000  -8447.5258     -8447.5258     -8513.0815     -8513.0815      253.70703      253.70703      23693.52       23693.52      -242.1188      -242.1188     
Loop time of 63.7477 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.355 ns/day, 17.708 hours/ns, 15.687 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.666     | 63.666     | 63.666     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014896   | 0.014896   | 0.014896   |   0.0 |  0.02
Output  | 4.0547e-05 | 4.0547e-05 | 4.0547e-05 |   0.0 |  0.00
Modify  | 0.061767   | 0.061767   | 0.061767   |   0.0 |  0.10
Other   |            | 0.005151   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215048 ave      215048 max      215048 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215048
Ave neighs/atom = 107.524
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.931807491928, Press = 0.191517274712714
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    327000  -8447.5258     -8447.5258     -8513.0815     -8513.0815      253.70703      253.70703      23693.52       23693.52      -242.1188      -242.1188     
    328000  -8446.9457     -8446.9457     -8512.6299     -8512.6299      254.20483      254.20483      23664.552      23664.552      1956.207       1956.207     
Loop time of 63.7305 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.703 hours/ns, 15.691 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.649     | 63.649     | 63.649     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014862   | 0.014862   | 0.014862   |   0.0 |  0.02
Output  | 4.0687e-05 | 4.0687e-05 | 4.0687e-05 |   0.0 |  0.00
Modify  | 0.0617     | 0.0617     | 0.0617     |   0.0 |  0.10
Other   |            | 0.00516    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214674 ave      214674 max      214674 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214674
Ave neighs/atom = 107.337
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.934887756099, Press = -0.181384384569332
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    328000  -8446.9457     -8446.9457     -8512.6299     -8512.6299      254.20483      254.20483      23664.552      23664.552      1956.207       1956.207     
    329000  -8450.4889     -8450.4889     -8514.997      -8514.997       249.65326      249.65326      23717.771      23717.771     -2348.4003     -2348.4003    
Loop time of 63.7879 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.354 ns/day, 17.719 hours/ns, 15.677 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.706     | 63.706     | 63.706     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014846   | 0.014846   | 0.014846   |   0.0 |  0.02
Output  | 4.1208e-05 | 4.1208e-05 | 4.1208e-05 |   0.0 |  0.00
Modify  | 0.06168    | 0.06168    | 0.06168    |   0.0 |  0.10
Other   |            | 0.005157   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215194 ave      215194 max      215194 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215194
Ave neighs/atom = 107.597
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.928144514108, Press = 0.0695054282418823
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    329000  -8450.4889     -8450.4889     -8514.997      -8514.997       249.65326      249.65326      23717.771      23717.771     -2348.4003     -2348.4003    
    330000  -8447.8539     -8447.8539     -8513.7048     -8513.7048      254.84968      254.84968      23672.782      23672.782      1259.9018      1259.9018    
Loop time of 63.6925 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.357 ns/day, 17.692 hours/ns, 15.700 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.611     | 63.611     | 63.611     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014922   | 0.014922   | 0.014922   |   0.0 |  0.02
Output  | 4.1499e-05 | 4.1499e-05 | 4.1499e-05 |   0.0 |  0.00
Modify  | 0.061759   | 0.061759   | 0.061759   |   0.0 |  0.10
Other   |            | 0.005167   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214718 ave      214718 max      214718 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214718
Ave neighs/atom = 107.359
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.928313341437, Press = 0.0385858454546558
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    330000  -8447.8539     -8447.8539     -8513.7048     -8513.7048      254.84968      254.84968      23672.782      23672.782      1259.9018      1259.9018    
    331000  -8444.8192     -8444.8192     -8511.6618     -8511.6618      258.68764      258.68764      23709.078      23709.078     -920.24209     -920.24209    
Loop time of 63.7698 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.355 ns/day, 17.714 hours/ns, 15.681 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.688     | 63.688     | 63.688     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014894   | 0.014894   | 0.014894   |   0.0 |  0.02
Output  | 4.1679e-05 | 4.1679e-05 | 4.1679e-05 |   0.0 |  0.00
Modify  | 0.061647   | 0.061647   | 0.061647   |   0.0 |  0.10
Other   |            | 0.005147   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215112 ave      215112 max      215112 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215112
Ave neighs/atom = 107.556
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.927315089237, Press = -0.0275457030180111
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    331000  -8444.8192     -8444.8192     -8511.6618     -8511.6618      258.68764      258.68764      23709.078      23709.078     -920.24209     -920.24209    
    332000  -8447.8396     -8447.8396     -8513.4638     -8513.4638      253.97267      253.97267      23680.286      23680.286      705.92146      705.92146    
Loop time of 63.7915 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.354 ns/day, 17.720 hours/ns, 15.676 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.71      | 63.71      | 63.71      |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014918   | 0.014918   | 0.014918   |   0.0 |  0.02
Output  | 4.245e-05  | 4.245e-05  | 4.245e-05  |   0.0 |  0.00
Modify  | 0.061762   | 0.061762   | 0.061762   |   0.0 |  0.10
Other   |            | 0.005154   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214620 ave      214620 max      214620 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214620
Ave neighs/atom = 107.31
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.927403615426, Press = 0.0772880923489069
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    332000  -8447.8396     -8447.8396     -8513.4638     -8513.4638      253.97267      253.97267      23680.286      23680.286      705.92146      705.92146    
    333000  -8445.8938     -8445.8938     -8510.7426     -8510.7426      250.97184      250.97184      23698.272      23698.272     -166.12664     -166.12664    
Loop time of 63.6288 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.675 hours/ns, 15.716 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.547     | 63.547     | 63.547     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014941   | 0.014941   | 0.014941   |   0.0 |  0.02
Output  | 4.0055e-05 | 4.0055e-05 | 4.0055e-05 |   0.0 |  0.00
Modify  | 0.061699   | 0.061699   | 0.061699   |   0.0 |  0.10
Other   |            | 0.005166   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214904 ave      214904 max      214904 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214904
Ave neighs/atom = 107.452
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.926743854878, Press = -0.0367071633334832
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    333000  -8445.8938     -8445.8938     -8510.7426     -8510.7426      250.97184      250.97184      23698.272      23698.272     -166.12664     -166.12664    
    334000  -8449.8277     -8449.8277     -8514.5502     -8514.5502      250.48276      250.48276      23690.279      23690.279     -248.33484     -248.33484    
Loop time of 63.4799 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.361 ns/day, 17.633 hours/ns, 15.753 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.398     | 63.398     | 63.398     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014959   | 0.014959   | 0.014959   |   0.0 |  0.02
Output  | 3.9845e-05 | 3.9845e-05 | 3.9845e-05 |   0.0 |  0.00
Modify  | 0.061695   | 0.061695   | 0.061695   |   0.0 |  0.10
Other   |            | 0.005155   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214278 ave      214278 max      214278 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214278
Ave neighs/atom = 107.139
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.925169248324, Press = 0.0114703926810325
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    334000  -8449.8277     -8449.8277     -8514.5502     -8514.5502      250.48276      250.48276      23690.279      23690.279     -248.33484     -248.33484    
    335000  -8446.8087     -8446.8087     -8512.3566     -8512.3566      253.67703      253.67703      23686.898      23686.898      346.13118      346.13118    
Loop time of 63.6597 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.357 ns/day, 17.683 hours/ns, 15.709 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.578     | 63.578     | 63.578     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014921   | 0.014921   | 0.014921   |   0.0 |  0.02
Output  | 4.1318e-05 | 4.1318e-05 | 4.1318e-05 |   0.0 |  0.00
Modify  | 0.061743   | 0.061743   | 0.061743   |   0.0 |  0.10
Other   |            | 0.005147   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214914 ave      214914 max      214914 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214914
Ave neighs/atom = 107.457
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.922105626553, Press = 0.0253164088485071
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    335000  -8446.8087     -8446.8087     -8512.3566     -8512.3566      253.67703      253.67703      23686.898      23686.898      346.13118      346.13118    
    336000  -8447.9113     -8447.9113     -8511.808      -8511.808       247.28681      247.28681      23688.122      23688.122      285.76429      285.76429    
Loop time of 63.6137 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.670 hours/ns, 15.720 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.532     | 63.532     | 63.532     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014925   | 0.014925   | 0.014925   |   0.0 |  0.02
Output  | 4.1007e-05 | 4.1007e-05 | 4.1007e-05 |   0.0 |  0.00
Modify  | 0.061677   | 0.061677   | 0.061677   |   0.0 |  0.10
Other   |            | 0.005166   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214708 ave      214708 max      214708 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214708
Ave neighs/atom = 107.354
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.920779130516, Press = -0.0742243228362804
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    336000  -8447.9113     -8447.9113     -8511.808      -8511.808       247.28681      247.28681      23688.122      23688.122      285.76429      285.76429    
    337000  -8447.2758     -8447.2758     -8511.1453     -8511.1453      247.18182      247.18182      23705.263      23705.263     -808.01214     -808.01214    
Loop time of 63.6425 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.678 hours/ns, 15.713 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.561     | 63.561     | 63.561     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014854   | 0.014854   | 0.014854   |   0.0 |  0.02
Output  | 4.1718e-05 | 4.1718e-05 | 4.1718e-05 |   0.0 |  0.00
Modify  | 0.061627   | 0.061627   | 0.061627   |   0.0 |  0.10
Other   |            | 0.005154   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214676 ave      214676 max      214676 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214676
Ave neighs/atom = 107.338
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.919157490765, Press = 0.085011572341199
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    337000  -8447.2758     -8447.2758     -8511.1453     -8511.1453      247.18182      247.18182      23705.263      23705.263     -808.01214     -808.01214    
    338000  -8450.3445     -8450.3445     -8516.2135     -8516.2135      254.91967      254.91967      23654.223      23654.223      1934.2787      1934.2787    
Loop time of 63.5237 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.360 ns/day, 17.645 hours/ns, 15.742 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.442     | 63.442     | 63.442     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014914   | 0.014914   | 0.014914   |   0.0 |  0.02
Output  | 4.4464e-05 | 4.4464e-05 | 4.4464e-05 |   0.0 |  0.00
Modify  | 0.061701   | 0.061701   | 0.061701   |   0.0 |  0.10
Other   |            | 0.005148   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214334 ave      214334 max      214334 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214334
Ave neighs/atom = 107.167
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.917291668435, Press = -0.00760461089581936
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    338000  -8450.3445     -8450.3445     -8516.2135     -8516.2135      254.91967      254.91967      23654.223      23654.223      1934.2787      1934.2787    
    339000  -8446.4424     -8446.4424     -8511.7081     -8511.7081      252.58521      252.58521      23731.579      23731.579     -2786.1485     -2786.1485    
Loop time of 63.689 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.357 ns/day, 17.691 hours/ns, 15.701 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.607     | 63.607     | 63.607     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01491    | 0.01491    | 0.01491    |   0.0 |  0.02
Output  | 4.2691e-05 | 4.2691e-05 | 4.2691e-05 |   0.0 |  0.00
Modify  | 0.061712   | 0.061712   | 0.061712   |   0.0 |  0.10
Other   |            | 0.005152   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215364 ave      215364 max      215364 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215364
Ave neighs/atom = 107.682
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.913535228066, Press = -0.066707183815545
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    339000  -8446.4424     -8446.4424     -8511.7081     -8511.7081      252.58521      252.58521      23731.579      23731.579     -2786.1485     -2786.1485    
    340000  -8449.5671     -8449.5671     -8514.8099     -8514.8099      252.49656      252.49656      23654.628      23654.628      2198.0352      2198.0352    
Loop time of 63.6957 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.693 hours/ns, 15.700 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.614     | 63.614     | 63.614     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01482    | 0.01482    | 0.01482    |   0.0 |  0.02
Output  | 4.1849e-05 | 4.1849e-05 | 4.1849e-05 |   0.0 |  0.00
Modify  | 0.061678   | 0.061678   | 0.061678   |   0.0 |  0.10
Other   |            | 0.005161   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214132 ave      214132 max      214132 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214132
Ave neighs/atom = 107.066
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.910791072504, Press = 0.131799442266231
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    340000  -8449.5671     -8449.5671     -8514.8099     -8514.8099      252.49656      252.49656      23654.628      23654.628      2198.0352      2198.0352    
    341000  -8446.6273     -8446.6273     -8511.9405     -8511.9405      252.76891      252.76891      23696.58       23696.58      -361.40782     -361.40782    
Loop time of 63.7691 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.355 ns/day, 17.714 hours/ns, 15.682 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.687     | 63.687     | 63.687     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014881   | 0.014881   | 0.014881   |   0.0 |  0.02
Output  | 3.8693e-05 | 3.8693e-05 | 3.8693e-05 |   0.0 |  0.00
Modify  | 0.061717   | 0.061717   | 0.061717   |   0.0 |  0.10
Other   |            | 0.005161   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215500 ave      215500 max      215500 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215500
Ave neighs/atom = 107.75
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.904231967665, Press = -0.0633892223798296
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    341000  -8446.6273     -8446.6273     -8511.9405     -8511.9405      252.76891      252.76891      23696.58       23696.58      -361.40782     -361.40782    
    342000  -8446.6205     -8446.6205     -8511.0905     -8511.0905      249.50559      249.50559      23692.774      23692.774      106.54493      106.54493    
Loop time of 63.6368 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.677 hours/ns, 15.714 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.555     | 63.555     | 63.555     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01488    | 0.01488    | 0.01488    |   0.0 |  0.02
Output  | 4.2491e-05 | 4.2491e-05 | 4.2491e-05 |   0.0 |  0.00
Modify  | 0.061824   | 0.061824   | 0.061824   |   0.0 |  0.10
Other   |            | 0.005177   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214342 ave      214342 max      214342 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214342
Ave neighs/atom = 107.171
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.902324224177, Press = 0.0762831939381093
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    342000  -8446.6205     -8446.6205     -8511.0905     -8511.0905      249.50559      249.50559      23692.774      23692.774      106.54493      106.54493    
    343000  -8448.7817     -8448.7817     -8512.4482     -8512.4482      246.39601      246.39601      23672.856      23672.856      1213.2721      1213.2721    
Loop time of 63.4416 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.362 ns/day, 17.623 hours/ns, 15.763 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.36      | 63.36      | 63.36      |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014867   | 0.014867   | 0.014867   |   0.0 |  0.02
Output  | 4.4554e-05 | 4.4554e-05 | 4.4554e-05 |   0.0 |  0.00
Modify  | 0.061736   | 0.061736   | 0.061736   |   0.0 |  0.10
Other   |            | 0.005156   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214440 ave      214440 max      214440 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214440
Ave neighs/atom = 107.22
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.90041513961, Press = -0.048492700284885
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    343000  -8448.7817     -8448.7817     -8512.4482     -8512.4482      246.39601      246.39601      23672.856      23672.856      1213.2721      1213.2721    
    344000  -8448.2092     -8448.2092     -8514.1146     -8514.1146      255.0608       255.0608       23730.475      23730.475     -3092.6899     -3092.6899    
Loop time of 63.7307 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.703 hours/ns, 15.691 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.649     | 63.649     | 63.649     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014922   | 0.014922   | 0.014922   |   0.0 |  0.02
Output  | 4.0226e-05 | 4.0226e-05 | 4.0226e-05 |   0.0 |  0.00
Modify  | 0.061736   | 0.061736   | 0.061736   |   0.0 |  0.10
Other   |            | 0.005165   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214892 ave      214892 max      214892 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214892
Ave neighs/atom = 107.446
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.902572329432, Press = -0.0399827450055567
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    344000  -8448.2092     -8448.2092     -8514.1146     -8514.1146      255.0608       255.0608       23730.475      23730.475     -3092.6899     -3092.6899    
    345000  -8445.2948     -8445.2948     -8513.0613     -8513.0613      262.26308      262.26308      23653.182      23653.182      2697.6893      2697.6893    
Loop time of 63.528 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.360 ns/day, 17.647 hours/ns, 15.741 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.446     | 63.446     | 63.446     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014972   | 0.014972   | 0.014972   |   0.0 |  0.02
Output  | 2.6941e-05 | 2.6941e-05 | 2.6941e-05 |   0.0 |  0.00
Modify  | 0.061658   | 0.061658   | 0.061658   |   0.0 |  0.10
Other   |            | 0.005153   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214324 ave      214324 max      214324 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214324
Ave neighs/atom = 107.162
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.90282496067, Press = 0.148981271176259
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    345000  -8445.2948     -8445.2948     -8513.0613     -8513.0613      262.26308      262.26308      23653.182      23653.182      2697.6893      2697.6893    
    346000  -8449.5315     -8449.5315     -8512.9482     -8512.9482      245.42942      245.42942      23702.75       23702.75      -848.26018     -848.26018    
Loop time of 63.7014 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.695 hours/ns, 15.698 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.62      | 63.62      | 63.62      |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01484    | 0.01484    | 0.01484    |   0.0 |  0.02
Output  | 2.7101e-05 | 2.7101e-05 | 2.7101e-05 |   0.0 |  0.00
Modify  | 0.061617   | 0.061617   | 0.061617   |   0.0 |  0.10
Other   |            | 0.005162   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215174 ave      215174 max      215174 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215174
Ave neighs/atom = 107.587
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.902643134944, Press = -0.151955436280761
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    346000  -8449.5315     -8449.5315     -8512.9482     -8512.9482      245.42942      245.42942      23702.75       23702.75      -848.26018     -848.26018    
    347000  -8447.0898     -8447.0898     -8512.6197     -8512.6197      253.60729      253.60729      23687.51       23687.51       270.98627      270.98627    
Loop time of 63.7146 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.699 hours/ns, 15.695 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.633     | 63.633     | 63.633     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01486    | 0.01486    | 0.01486    |   0.0 |  0.02
Output  | 2.6921e-05 | 2.6921e-05 | 2.6921e-05 |   0.0 |  0.00
Modify  | 0.061654   | 0.061654   | 0.061654   |   0.0 |  0.10
Other   |            | 0.005148   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214810 ave      214810 max      214810 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214810
Ave neighs/atom = 107.405
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.907895668685, Press = 0.118412141639158
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    347000  -8447.0898     -8447.0898     -8512.6197     -8512.6197      253.60729      253.60729      23687.51       23687.51       270.98627      270.98627    
    348000  -8444.5606     -8444.5606     -8510.4906     -8510.4906      255.15584      255.15584      23688.489      23688.489      525.88911      525.88911    
Loop time of 63.6787 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.357 ns/day, 17.689 hours/ns, 15.704 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.597     | 63.597     | 63.597     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014841   | 0.014841   | 0.014841   |   0.0 |  0.02
Output  | 2.681e-05  | 2.681e-05  | 2.681e-05  |   0.0 |  0.00
Modify  | 0.061693   | 0.061693   | 0.061693   |   0.0 |  0.10
Other   |            | 0.005151   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214886 ave      214886 max      214886 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214886
Ave neighs/atom = 107.443
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.911724511746, Press = -0.133380767151111
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    348000  -8444.5606     -8444.5606     -8510.4906     -8510.4906      255.15584      255.15584      23688.489      23688.489      525.88911      525.88911    
    349000  -8447.5885     -8447.5885     -8512.9477     -8512.9477      252.94676      252.94676      23706.616      23706.616     -1217.9044     -1217.9044    
Loop time of 63.7213 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.700 hours/ns, 15.693 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.64      | 63.64      | 63.64      |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014907   | 0.014907   | 0.014907   |   0.0 |  0.02
Output  | 2.6751e-05 | 2.6751e-05 | 2.6751e-05 |   0.0 |  0.00
Modify  | 0.061724   | 0.061724   | 0.061724   |   0.0 |  0.10
Other   |            | 0.005168   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214542 ave      214542 max      214542 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214542
Ave neighs/atom = 107.271
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.918154904506, Press = 0.111334506527183
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    349000  -8447.5885     -8447.5885     -8512.9477     -8512.9477      252.94676      252.94676      23706.616      23706.616     -1217.9044     -1217.9044    
    350000  -8445.1797     -8445.1797     -8511.1721     -8511.1721      255.3974       255.3974       23660.185      23660.185      2480.9322      2480.9322    
Loop time of 63.6457 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.679 hours/ns, 15.712 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.564     | 63.564     | 63.564     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014923   | 0.014923   | 0.014923   |   0.0 |  0.02
Output  | 2.637e-05  | 2.637e-05  | 2.637e-05  |   0.0 |  0.00
Modify  | 0.061607   | 0.061607   | 0.061607   |   0.0 |  0.10
Other   |            | 0.005148   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214468 ave      214468 max      214468 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214468
Ave neighs/atom = 107.234
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.919333030262, Press = -0.0490363043442697
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    350000  -8445.1797     -8445.1797     -8511.1721     -8511.1721      255.3974       255.3974       23660.185      23660.185      2480.9322      2480.9322    
    351000  -8446.6698     -8446.6698     -8513.1121     -8513.1121      257.13847      257.13847      23725.384      23725.384     -2438.7285     -2438.7285    
Loop time of 63.76 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.355 ns/day, 17.711 hours/ns, 15.684 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.678     | 63.678     | 63.678     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014866   | 0.014866   | 0.014866   |   0.0 |  0.02
Output  | 2.9325e-05 | 2.9325e-05 | 2.9325e-05 |   0.0 |  0.00
Modify  | 0.061686   | 0.061686   | 0.061686   |   0.0 |  0.10
Other   |            | 0.005164   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214994 ave      214994 max      214994 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214994
Ave neighs/atom = 107.497
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.921619642137, Press = -0.0618877455631308
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    351000  -8446.6698     -8446.6698     -8513.1121     -8513.1121      257.13847      257.13847      23725.384      23725.384     -2438.7285     -2438.7285    
    352000  -8447.38       -8447.38       -8512.195      -8512.195       250.84053      250.84053      23673.353      23673.353      1296.5103      1296.5103    
Loop time of 63.7836 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.355 ns/day, 17.718 hours/ns, 15.678 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.702     | 63.702     | 63.702     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014965   | 0.014965   | 0.014965   |   0.0 |  0.02
Output  | 2.654e-05  | 2.654e-05  | 2.654e-05  |   0.0 |  0.00
Modify  | 0.061739   | 0.061739   | 0.061739   |   0.0 |  0.10
Other   |            | 0.005155   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214476 ave      214476 max      214476 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214476
Ave neighs/atom = 107.238
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.929352015809, Press = 0.119978638024258
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    352000  -8447.38       -8447.38       -8512.195      -8512.195       250.84053      250.84053      23673.353      23673.353      1296.5103      1296.5103    
    353000  -8445.1912     -8445.1912     -8511.9911     -8511.9911      258.5222       258.5222       23694.145      23694.145     -72.080045     -72.080045    
Loop time of 63.7453 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.355 ns/day, 17.707 hours/ns, 15.687 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.664     | 63.664     | 63.664     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014834   | 0.014834   | 0.014834   |   0.0 |  0.02
Output  | 2.7192e-05 | 2.7192e-05 | 2.7192e-05 |   0.0 |  0.00
Modify  | 0.061673   | 0.061673   | 0.061673   |   0.0 |  0.10
Other   |            | 0.005159   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215052 ave      215052 max      215052 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215052
Ave neighs/atom = 107.526
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.932828492063, Press = -0.0695191878908538
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    353000  -8445.1912     -8445.1912     -8511.9911     -8511.9911      258.5222       258.5222       23694.145      23694.145     -72.080045     -72.080045    
    354000  -8448.8277     -8448.8277     -8514.3661     -8514.3661      253.64041      253.64041      23695.589      23695.589     -597.96851     -597.96851    
Loop time of 63.5409 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.360 ns/day, 17.650 hours/ns, 15.738 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.459     | 63.459     | 63.459     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014871   | 0.014871   | 0.014871   |   0.0 |  0.02
Output  | 2.6419e-05 | 2.6419e-05 | 2.6419e-05 |   0.0 |  0.00
Modify  | 0.061695   | 0.061695   | 0.061695   |   0.0 |  0.10
Other   |            | 0.005153   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214730 ave      214730 max      214730 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214730
Ave neighs/atom = 107.365
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.939108739629, Press = 0.088283853072979
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    354000  -8448.8277     -8448.8277     -8514.3661     -8514.3661      253.64041      253.64041      23695.589      23695.589     -597.96851     -597.96851    
    355000  -8445.6533     -8445.6533     -8512.2554     -8512.2554      257.75693      257.75693      23673.154      23673.154      1427.8425      1427.8425    
Loop time of 63.7071 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.696 hours/ns, 15.697 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.625     | 63.625     | 63.625     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014925   | 0.014925   | 0.014925   |   0.0 |  0.02
Output  | 2.644e-05  | 2.644e-05  | 2.644e-05  |   0.0 |  0.00
Modify  | 0.061653   | 0.061653   | 0.061653   |   0.0 |  0.10
Other   |            | 0.00516    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214900 ave      214900 max      214900 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214900
Ave neighs/atom = 107.45
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.942835601803, Press = -0.0511643592552262
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    355000  -8445.6533     -8445.6533     -8512.2554     -8512.2554      257.75693      257.75693      23673.154      23673.154      1427.8425      1427.8425    
    356000  -8449.0065     -8449.0065     -8513.0961     -8513.0961      248.03329      248.03329      23734.875      23734.875     -3295.2651     -3295.2651    
Loop time of 63.7841 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.355 ns/day, 17.718 hours/ns, 15.678 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.703     | 63.703     | 63.703     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014828   | 0.014828   | 0.014828   |   0.0 |  0.02
Output  | 2.688e-05  | 2.688e-05  | 2.688e-05  |   0.0 |  0.00
Modify  | 0.06161    | 0.06161    | 0.06161    |   0.0 |  0.10
Other   |            | 0.005161   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215162 ave      215162 max      215162 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215162
Ave neighs/atom = 107.581
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.940719727441, Press = -0.00191065547617239
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    356000  -8449.0065     -8449.0065     -8513.0961     -8513.0961      248.03329      248.03329      23734.875      23734.875     -3295.2651     -3295.2651    
    357000  -8447.347      -8447.347      -8512.9829     -8512.9829      254.01783      254.01783      23653.615      23653.615      2691.2404      2691.2404    
Loop time of 63.6302 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.675 hours/ns, 15.716 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.549     | 63.549     | 63.549     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014893   | 0.014893   | 0.014893   |   0.0 |  0.02
Output  | 2.647e-05  | 2.647e-05  | 2.647e-05  |   0.0 |  0.00
Modify  | 0.061653   | 0.061653   | 0.061653   |   0.0 |  0.10
Other   |            | 0.005159   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214052 ave      214052 max      214052 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214052
Ave neighs/atom = 107.026
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 = 252.938092525706, Press = 0.109859851965249
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    357000  -8447.347      -8447.347      -8512.9829     -8512.9829      254.01783      254.01783      23653.615      23653.615      2691.2404      2691.2404    
    358000  -8446.192      -8446.192      -8512.3218     -8512.3218      255.92904      255.92904      23710.618      23710.618     -1364.8391     -1364.8391    
Loop time of 63.7646 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.355 ns/day, 17.712 hours/ns, 15.683 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.683     | 63.683     | 63.683     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014867   | 0.014867   | 0.014867   |   0.0 |  0.02
Output  | 2.622e-05  | 2.622e-05  | 2.622e-05  |   0.0 |  0.00
Modify  | 0.061636   | 0.061636   | 0.061636   |   0.0 |  0.10
Other   |            | 0.005174   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215478 ave      215478 max      215478 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215478
Ave neighs/atom = 107.739
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.938719257127, Press = -0.121989854000143
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    358000  -8446.192      -8446.192      -8512.3218     -8512.3218      255.92904      255.92904      23710.618      23710.618     -1364.8391     -1364.8391    
    359000  -8447.466      -8447.466      -8513.2775     -8513.2775      254.69753      254.69753      23687.657      23687.657      115.52071      115.52071    
Loop time of 63.6182 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.672 hours/ns, 15.719 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.537     | 63.537     | 63.537     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014867   | 0.014867   | 0.014867   |   0.0 |  0.02
Output  | 2.6299e-05 | 2.6299e-05 | 2.6299e-05 |   0.0 |  0.00
Modify  | 0.061622   | 0.061622   | 0.061622   |   0.0 |  0.10
Other   |            | 0.005166   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214246 ave      214246 max      214246 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214246
Ave neighs/atom = 107.123
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.942103716121, Press = 0.0831329105387393
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    359000  -8447.466      -8447.466      -8513.2775     -8513.2775      254.69753      254.69753      23687.657      23687.657      115.52071      115.52071    
    360000  -8446.3727     -8446.3727     -8512.2172     -8512.2172      254.82525      254.82525      23694.076      23694.076     -47.018347     -47.018347    
Loop time of 63.6543 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.357 ns/day, 17.682 hours/ns, 15.710 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.573     | 63.573     | 63.573     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014854   | 0.014854   | 0.014854   |   0.0 |  0.02
Output  | 2.689e-05  | 2.689e-05  | 2.689e-05  |   0.0 |  0.00
Modify  | 0.061571   | 0.061571   | 0.061571   |   0.0 |  0.10
Other   |            | 0.005167   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214712 ave      214712 max      214712 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214712
Ave neighs/atom = 107.356
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.943362565295, Press = -0.0607252947357015
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    360000  -8446.3727     -8446.3727     -8512.2172     -8512.2172      254.82525      254.82525      23694.076      23694.076     -47.018347     -47.018347    
    361000  -8449.2752     -8449.2752     -8513.3114     -8513.3114      247.82662      247.82662      23694.922      23694.922     -455.34903     -455.34903    
Loop time of 63.5861 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.359 ns/day, 17.663 hours/ns, 15.727 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.504     | 63.504     | 63.504     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015033   | 0.015033   | 0.015033   |   0.0 |  0.02
Output  | 2.672e-05  | 2.672e-05  | 2.672e-05  |   0.0 |  0.00
Modify  | 0.061685   | 0.061685   | 0.061685   |   0.0 |  0.10
Other   |            | 0.005152   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214622 ave      214622 max      214622 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214622
Ave neighs/atom = 107.311
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.937995834249, Press = 0.0700786088027808
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    361000  -8449.2752     -8449.2752     -8513.3114     -8513.3114      247.82662      247.82662      23694.922      23694.922     -455.34903     -455.34903    
    362000  -8447.5112     -8447.5112     -8511.5629     -8511.5629      247.88677      247.88677      23677.438      23677.438      1081.4982      1081.4982    
Loop time of 63.5425 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.360 ns/day, 17.651 hours/ns, 15.738 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.461     | 63.461     | 63.461     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014833   | 0.014833   | 0.014833   |   0.0 |  0.02
Output  | 2.6921e-05 | 2.6921e-05 | 2.6921e-05 |   0.0 |  0.00
Modify  | 0.061623   | 0.061623   | 0.061623   |   0.0 |  0.10
Other   |            | 0.005171   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214870 ave      214870 max      214870 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214870
Ave neighs/atom = 107.435
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.936127061393, Press = -0.0135728131871435
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    362000  -8447.5112     -8447.5112     -8511.5629     -8511.5629      247.88677      247.88677      23677.438      23677.438      1081.4982      1081.4982    
    363000  -8446.6174     -8446.6174     -8512.1391     -8512.1391      253.57567      253.57567      23712.219      23712.219     -1354.1413     -1354.1413    
Loop time of 63.6512 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.357 ns/day, 17.681 hours/ns, 15.711 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.57      | 63.57      | 63.57      |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014855   | 0.014855   | 0.014855   |   0.0 |  0.02
Output  | 2.668e-05  | 2.668e-05  | 2.668e-05  |   0.0 |  0.00
Modify  | 0.061622   | 0.061622   | 0.061622   |   0.0 |  0.10
Other   |            | 0.005171   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214724 ave      214724 max      214724 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214724
Ave neighs/atom = 107.362
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.929670733905, Press = -0.0169555275889967
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    363000  -8446.6174     -8446.6174     -8512.1391     -8512.1391      253.57567      253.57567      23712.219      23712.219     -1354.1413     -1354.1413    
    364000  -8448.3031     -8448.3031     -8514.3239     -8514.3239      255.5075       255.5075       23666.199      23666.199      1596.0915      1596.0915    
Loop time of 63.7109 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.697 hours/ns, 15.696 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.629     | 63.629     | 63.629     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014828   | 0.014828   | 0.014828   |   0.0 |  0.02
Output  | 2.695e-05  | 2.695e-05  | 2.695e-05  |   0.0 |  0.00
Modify  | 0.061694   | 0.061694   | 0.061694   |   0.0 |  0.10
Other   |            | 0.005168   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214622 ave      214622 max      214622 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214622
Ave neighs/atom = 107.311
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.931768197811, Press = 0.0998079223225077
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    364000  -8448.3031     -8448.3031     -8514.3239     -8514.3239      255.5075       255.5075       23666.199      23666.199      1596.0915      1596.0915    
    365000  -8446.1985     -8446.1985     -8512.9784     -8512.9784      258.44535      258.44535      23710.227      23710.227     -1368.9698     -1368.9698    
Loop time of 63.7726 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.355 ns/day, 17.715 hours/ns, 15.681 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.691     | 63.691     | 63.691     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014894   | 0.014894   | 0.014894   |   0.0 |  0.02
Output  | 0.00010433 | 0.00010433 | 0.00010433 |   0.0 |  0.00
Modify  | 0.061647   | 0.061647   | 0.061647   |   0.0 |  0.10
Other   |            | 0.005153   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215274 ave      215274 max      215274 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215274
Ave neighs/atom = 107.637
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.936401872499, Press = -0.161794569185342
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    365000  -8446.1985     -8446.1985     -8512.9784     -8512.9784      258.44535      258.44535      23710.227      23710.227     -1368.9698     -1368.9698    
    366000  -8450.6629     -8450.6629     -8514.2502     -8514.2502      246.08914      246.08914      23688.491      23688.491     -183.54461     -183.54461    
Loop time of 63.6304 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.675 hours/ns, 15.716 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.549     | 63.549     | 63.549     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01499    | 0.01499    | 0.01499    |   0.0 |  0.02
Output  | 2.5959e-05 | 2.5959e-05 | 2.5959e-05 |   0.0 |  0.00
Modify  | 0.061702   | 0.061702   | 0.061702   |   0.0 |  0.10
Other   |            | 0.005175   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214544 ave      214544 max      214544 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214544
Ave neighs/atom = 107.272
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.935913517435, Press = 0.17755896038888
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    366000  -8450.6629     -8450.6629     -8514.2502     -8514.2502      246.08914      246.08914      23688.491      23688.491     -183.54461     -183.54461    
    367000  -8447.2129     -8447.2129     -8512.2978     -8512.2978      251.88538      251.88538      23680.233      23680.233      852.7868       852.7868     
Loop time of 63.782 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.355 ns/day, 17.717 hours/ns, 15.678 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.7       | 63.7       | 63.7       |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01486    | 0.01486    | 0.01486    |   0.0 |  0.02
Output  | 2.639e-05  | 2.639e-05  | 2.639e-05  |   0.0 |  0.00
Modify  | 0.061629   | 0.061629   | 0.061629   |   0.0 |  0.10
Other   |            | 0.005142   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214860 ave      214860 max      214860 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214860
Ave neighs/atom = 107.43
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.933627523418, Press = -0.108344189992841
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    367000  -8447.2129     -8447.2129     -8512.2978     -8512.2978      251.88538      251.88538      23680.233      23680.233      852.7868       852.7868     
    368000  -8449.5122     -8449.5122     -8513.9884     -8513.9884      249.52954      249.52954      23696.879      23696.879     -625.67458     -625.67458    
Loop time of 63.6659 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.357 ns/day, 17.685 hours/ns, 15.707 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.584     | 63.584     | 63.584     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014841   | 0.014841   | 0.014841   |   0.0 |  0.02
Output  | 2.6129e-05 | 2.6129e-05 | 2.6129e-05 |   0.0 |  0.00
Modify  | 0.061592   | 0.061592   | 0.061592   |   0.0 |  0.10
Other   |            | 0.005153   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214998 ave      214998 max      214998 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214998
Ave neighs/atom = 107.499
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.929650394214, Press = 0.0415769588680425
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    368000  -8449.5122     -8449.5122     -8513.9884     -8513.9884      249.52954      249.52954      23696.879      23696.879     -625.67458     -625.67458    
    369000  -8445.4937     -8445.4937     -8511.3091     -8511.3091      254.71265      254.71265      23676.231      23676.231      1333.9713      1333.9713    
Loop time of 63.7243 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.701 hours/ns, 15.693 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.642     | 63.642     | 63.642     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014949   | 0.014949   | 0.014949   |   0.0 |  0.02
Output  | 2.8884e-05 | 2.8884e-05 | 2.8884e-05 |   0.0 |  0.00
Modify  | 0.061693   | 0.061693   | 0.061693   |   0.0 |  0.10
Other   |            | 0.005161   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214934 ave      214934 max      214934 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214934
Ave neighs/atom = 107.467
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.927995502396, Press = 0.0194686639559246
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    369000  -8445.4937     -8445.4937     -8511.3091     -8511.3091      254.71265      254.71265      23676.231      23676.231      1333.9713      1333.9713    
    370000  -8449.069      -8449.069      -8514.2767     -8514.2767      252.36025      252.36025      23703.665      23703.665     -1220.816      -1220.816     
Loop time of 63.6517 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.357 ns/day, 17.681 hours/ns, 15.710 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.57      | 63.57      | 63.57      |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01486    | 0.01486    | 0.01486    |   0.0 |  0.02
Output  | 2.7301e-05 | 2.7301e-05 | 2.7301e-05 |   0.0 |  0.00
Modify  | 0.061595   | 0.061595   | 0.061595   |   0.0 |  0.10
Other   |            | 0.005152   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214824 ave      214824 max      214824 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214824
Ave neighs/atom = 107.412
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.927465110251, Press = -0.0864037068893812
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    370000  -8449.069      -8449.069      -8514.2767     -8514.2767      252.36025      252.36025      23703.665      23703.665     -1220.816      -1220.816     
    371000  -8443.9115     -8443.9115     -8510.9916     -8510.9916      259.60696      259.60696      23679.444      23679.444      1149.9632      1149.9632    
Loop time of 63.5918 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.359 ns/day, 17.664 hours/ns, 15.725 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.51      | 63.51      | 63.51      |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014906   | 0.014906   | 0.014906   |   0.0 |  0.02
Output  | 2.636e-05  | 2.636e-05  | 2.636e-05  |   0.0 |  0.00
Modify  | 0.061705   | 0.061705   | 0.061705   |   0.0 |  0.10
Other   |            | 0.005148   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214834 ave      214834 max      214834 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214834
Ave neighs/atom = 107.417
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.930724202694, Press = 0.184871961821816
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    371000  -8443.9115     -8443.9115     -8510.9916     -8510.9916      259.60696      259.60696      23679.444      23679.444      1149.9632      1149.9632    
    372000  -8448.109      -8448.109      -8512.9027     -8512.9027      250.75835      250.75835      23686.512      23686.512      288.12557      288.12557    
Loop time of 63.6997 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.694 hours/ns, 15.699 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.618     | 63.618     | 63.618     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014826   | 0.014826   | 0.014826   |   0.0 |  0.02
Output  | 2.6259e-05 | 2.6259e-05 | 2.6259e-05 |   0.0 |  0.00
Modify  | 0.061672   | 0.061672   | 0.061672   |   0.0 |  0.10
Other   |            | 0.005163   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214820 ave      214820 max      214820 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214820
Ave neighs/atom = 107.41
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.933209743687, Press = -0.246648623154391
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    372000  -8448.109      -8448.109      -8512.9027     -8512.9027      250.75835      250.75835      23686.512      23686.512      288.12557      288.12557    
    373000  -8446.1682     -8446.1682     -8512.8793     -8512.8793      258.17921      258.17921      23711.124      23711.124     -1442.4835     -1442.4835    
Loop time of 63.6799 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.357 ns/day, 17.689 hours/ns, 15.704 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.598     | 63.598     | 63.598     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014798   | 0.014798   | 0.014798   |   0.0 |  0.02
Output  | 2.6961e-05 | 2.6961e-05 | 2.6961e-05 |   0.0 |  0.00
Modify  | 0.061595   | 0.061595   | 0.061595   |   0.0 |  0.10
Other   |            | 0.005121   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215012 ave      215012 max      215012 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215012
Ave neighs/atom = 107.506
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.93747270309, Press = 0.115609070029327
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    373000  -8446.1682     -8446.1682     -8512.8793     -8512.8793      258.17921      258.17921      23711.124      23711.124     -1442.4835     -1442.4835    
    374000  -8448.7627     -8448.7627     -8515.4694     -8515.4694      258.16167      258.16167      23663.746      23663.746      1516.2054      1516.2054    
Loop time of 63.728 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.702 hours/ns, 15.692 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.646     | 63.646     | 63.646     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014989   | 0.014989   | 0.014989   |   0.0 |  0.02
Output  | 2.6359e-05 | 2.6359e-05 | 2.6359e-05 |   0.0 |  0.00
Modify  | 0.061648   | 0.061648   | 0.061648   |   0.0 |  0.10
Other   |            | 0.005147   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214546 ave      214546 max      214546 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214546
Ave neighs/atom = 107.273
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.934368071575, Press = -0.0772509713502526
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    374000  -8448.7627     -8448.7627     -8515.4694     -8515.4694      258.16167      258.16167      23663.746      23663.746      1516.2054      1516.2054    
    375000  -8445.8206     -8445.8206     -8511.0531     -8511.0531      252.45669      252.45669      23719.794      23719.794     -1905.1874     -1905.1874    
Loop time of 63.6361 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.677 hours/ns, 15.714 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.554     | 63.554     | 63.554     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014885   | 0.014885   | 0.014885   |   0.0 |  0.02
Output  | 2.6189e-05 | 2.6189e-05 | 2.6189e-05 |   0.0 |  0.00
Modify  | 0.061649   | 0.061649   | 0.061649   |   0.0 |  0.10
Other   |            | 0.005168   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215456 ave      215456 max      215456 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215456
Ave neighs/atom = 107.728
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.937404339743, Press = 0.00674571778390831
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    375000  -8445.8206     -8445.8206     -8511.0531     -8511.0531      252.45669      252.45669      23719.794      23719.794     -1905.1874     -1905.1874    
    376000  -8447.9585     -8447.9585     -8511.7951     -8511.7951      247.05419      247.05419      23661.16       23661.16       2253.5575      2253.5575    
Loop time of 63.6124 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.670 hours/ns, 15.720 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.531     | 63.531     | 63.531     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014902   | 0.014902   | 0.014902   |   0.0 |  0.02
Output  | 2.7472e-05 | 2.7472e-05 | 2.7472e-05 |   0.0 |  0.00
Modify  | 0.061672   | 0.061672   | 0.061672   |   0.0 |  0.10
Other   |            | 0.005171   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214104 ave      214104 max      214104 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214104
Ave neighs/atom = 107.052
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.938572514228, Press = 0.0540487349332157
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    376000  -8447.9585     -8447.9585     -8511.7951     -8511.7951      247.05419      247.05419      23661.16       23661.16       2253.5575      2253.5575    
    377000  -8447.4682     -8447.4682     -8513.3183     -8513.3183      254.84673      254.84673      23718.925      23718.925     -2052.6918     -2052.6918    
Loop time of 63.7538 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.355 ns/day, 17.709 hours/ns, 15.685 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.672     | 63.672     | 63.672     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014948   | 0.014948   | 0.014948   |   0.0 |  0.02
Output  | 2.672e-05  | 2.672e-05  | 2.672e-05  |   0.0 |  0.00
Modify  | 0.06175    | 0.06175    | 0.06175    |   0.0 |  0.10
Other   |            | 0.005164   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       215282 ave      215282 max      215282 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 215282
Ave neighs/atom = 107.641
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.945210981395, Press = -0.173746548147229
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    377000  -8447.4682     -8447.4682     -8513.3183     -8513.3183      254.84673      254.84673      23718.925      23718.925     -2052.6918     -2052.6918    
    378000  -8445.9276     -8445.9276     -8511.3771     -8511.3771      253.29624      253.29624      23681.8        23681.8        913.28585      913.28585    
Loop time of 63.6998 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.356 ns/day, 17.694 hours/ns, 15.699 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.618     | 63.618     | 63.618     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014878   | 0.014878   | 0.014878   |   0.0 |  0.02
Output  | 2.6921e-05 | 2.6921e-05 | 2.6921e-05 |   0.0 |  0.00
Modify  | 0.061667   | 0.061667   | 0.061667   |   0.0 |  0.10
Other   |            | 0.005172   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214458 ave      214458 max      214458 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214458
Ave neighs/atom = 107.229
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.949805092671, Press = 0.269039708735048
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    378000  -8445.9276     -8445.9276     -8511.3771     -8511.3771      253.29624      253.29624      23681.8        23681.8        913.28585      913.28585    
    379000  -8449.182      -8449.182      -8514.1643     -8514.1643      251.48839      251.48839      23681.647      23681.647      368.28899      368.28899    
Loop time of 63.643 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.358 ns/day, 17.679 hours/ns, 15.713 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.561     | 63.561     | 63.561     |   0.0 | 99.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014849   | 0.014849   | 0.014849   |   0.0 |  0.02
Output  | 2.678e-05  | 2.678e-05  | 2.678e-05  |   0.0 |  0.00
Modify  | 0.061622   | 0.061622   | 0.061622   |   0.0 |  0.10
Other   |            | 0.005145   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       214772 ave      214772 max      214772 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 214772
Ave neighs/atom = 107.386
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
jump SELF break

# Write final averaged volume to file if temperature and volume have converged; otherwise wirte a
# flag to indicate non-convergence.
variable      myStep equal step
if "${myStep} < 2000000" then "print '${V}'  file output/vol_T253.15.out"  else  "print 'not_converged'  file output/vol_T253.15.out"
print '${V}'  file output/vol_T253.15.out
23691.2325631055

print "LAMMPS calculation completed"
LAMMPS calculation completed
quit 0