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

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

# create a supercell with cubic lattice (fcc, bcc, sc, or diamond)
# using 10*10*10 conventional (orthogonal) unit cells
variable latticeconst_converted equal 3.031088910996914*${_u_distance}
variable latticeconst_converted equal 3.031088910996914*1
lattice       bcc  ${latticeconst_converted}
lattice       bcc  3.03108891099691
Lattice spacing in x,y,z = 3.0310889 3.0310889 3.0310889
region        simbox  block 0 10 0 10 0 10 units lattice
create_box    1 simbox
Created orthogonal box = (0 0 0) to (30.310889 30.310889 30.310889)
  1 by 1 by 1 MPI processor grid
create_atoms  1 box
Created 2000 atoms
  using lattice units in orthogonal box = (0 0 0) to (30.310889 30.310889 30.310889)
  create_atoms CPU = 0.000 seconds

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

kim_interactions V

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

kim interactions V
#=== BEGIN kim interactions ==================================
pair_style kim MEAM_LAMMPS_ShimKoKim_2013_NiVH__MO_612225165948_002
pair_coeff * * V
#=== END kim interactions ====================================


mass          1 ${mass_converted}
mass          1 50.9415

# initial volume
variable      v equal vol        # assign formula
variable      V0 equal ${v}    # evaluate initial value
variable      V0 equal 27848.1293284656    
variable      V0_metal equal ${V0}/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 27848.1293284656/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 27848.1293284656/(1*${_u_distance}*${_u_distance})
variable      V0_metal equal 27848.1293284656/(1*1*${_u_distance})
variable      V0_metal equal 27848.1293284656/(1*1*1)
variable      V0_metal_times1000 equal ${V0_metal}*1000
variable      V0_metal_times1000 equal 27848.1293284656*1000

print "Initial system volume: ${V0_metal} Angstroms^3"
Initial system volume: 27848.1293284656 Angstroms^3

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

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

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

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

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

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

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

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

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

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

Your simulation uses code contributions which should be cited:

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

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

- OpenKIM potential: https://openkim.org/cite/MO_612225165948_002#item-citation

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

Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
         0  -10513.917     -10513.917     -10600         -10600          333.15         333.15         27848.129      27848.129      3301.7196      3301.7196    
      1000  -10419.039     -10419.039     -10513.294     -10513.294      364.7765       364.7765       28027.658      28027.658      2348.3927      2348.3927    
Loop time of 44.5001 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.942 ns/day, 12.361 hours/ns, 22.472 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 44.419     | 44.419     | 44.419     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015089   | 0.015089   | 0.015089   |   0.0 |  0.03
Output  | 0.00016119 | 0.00016119 | 0.00016119 |   0.0 |  0.00
Modify  | 0.059978   | 0.059978   | 0.059978   |   0.0 |  0.13
Other   |            | 0.00538    |            |       |  0.01

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

Total # of neighbors = 224000
Ave neighs/atom = 112
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
      1000  -10419.039     -10419.039     -10513.294     -10513.294      364.7765       364.7765       28027.658      28027.658      2348.3927      2348.3927    
      2000  -10424.62      -10424.62      -10506.748     -10506.748      317.84249      317.84249      28034.466      28034.466      2071.0465      2071.0465    
Loop time of 46.385 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.863 ns/day, 12.885 hours/ns, 21.559 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.305     | 46.305     | 46.305     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014947   | 0.014947   | 0.014947   |   0.0 |  0.03
Output  | 5.2328e-05 | 5.2328e-05 | 5.2328e-05 |   0.0 |  0.00
Modify  | 0.05965    | 0.05965    | 0.05965    |   0.0 |  0.13
Other   |            | 0.005289   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       222088 ave      222088 max      222088 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 222088
Ave neighs/atom = 111.044
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
      2000  -10424.62      -10424.62      -10506.748     -10506.748      317.84249      317.84249      28034.466      28034.466      2071.0465      2071.0465    
      3000  -10422.723     -10422.723     -10508.993     -10508.993      333.87304      333.87304      28057.55       28057.55       510.32504      510.32504    
Loop time of 46.4439 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.860 ns/day, 12.901 hours/ns, 21.531 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.364     | 46.364     | 46.364     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014913   | 0.014913   | 0.014913   |   0.0 |  0.03
Output  | 6.0694e-05 | 6.0694e-05 | 6.0694e-05 |   0.0 |  0.00
Modify  | 0.059598   | 0.059598   | 0.059598   |   0.0 |  0.13
Other   |            | 0.005341   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221492 ave      221492 max      221492 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221492
Ave neighs/atom = 110.746
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
      3000  -10422.723     -10422.723     -10508.993     -10508.993      333.87304      333.87304      28057.55       28057.55       510.32504      510.32504    
      4000  -10422.385     -10422.385     -10511.355     -10511.355      344.32423      344.32423      28061.18       28061.18       850.00069      850.00069    
Loop time of 46.4829 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.859 ns/day, 12.912 hours/ns, 21.513 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.403     | 46.403     | 46.403     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01494    | 0.01494    | 0.01494    |   0.0 |  0.03
Output  | 4.6658e-05 | 4.6658e-05 | 4.6658e-05 |   0.0 |  0.00
Modify  | 0.059587   | 0.059587   | 0.059587   |   0.0 |  0.13
Other   |            | 0.005293   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221310 ave      221310 max      221310 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221310
Ave neighs/atom = 110.655
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
      4000  -10422.385     -10422.385     -10511.355     -10511.355      344.32423      344.32423      28061.18       28061.18       850.00069      850.00069    
      5000  -10421.429     -10421.429     -10509.801     -10509.801      342.01002      342.01002      28089.009      28089.009     -1149.3634     -1149.3634    
Loop time of 46.5068 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.858 ns/day, 12.919 hours/ns, 21.502 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.427     | 46.427     | 46.427     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014924   | 0.014924   | 0.014924   |   0.0 |  0.03
Output  | 2.8864e-05 | 2.8864e-05 | 2.8864e-05 |   0.0 |  0.00
Modify  | 0.059716   | 0.059716   | 0.059716   |   0.0 |  0.13
Other   |            | 0.005234   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221940 ave      221940 max      221940 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221940
Ave neighs/atom = 110.97
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 330.896995779367, Press = -1278.18867649441
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10421.429     -10421.429     -10509.801     -10509.801      342.01002      342.01002      28089.009      28089.009     -1149.3634     -1149.3634    
      6000  -10422.951     -10422.951     -10507.778     -10507.778      328.2908       328.2908       28126.211      28126.211     -3099.8572     -3099.8572    
Loop time of 46.4429 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.860 ns/day, 12.901 hours/ns, 21.532 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.361     | 46.361     | 46.361     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014898   | 0.014898   | 0.014898   |   0.0 |  0.03
Output  | 3.0117e-05 | 3.0117e-05 | 3.0117e-05 |   0.0 |  0.00
Modify  | 0.061878   | 0.061878   | 0.061878   |   0.0 |  0.13
Other   |            | 0.005282   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221492 ave      221492 max      221492 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221492
Ave neighs/atom = 110.746
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.19918730516, Press = -113.645006029668
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10422.951     -10422.951     -10507.778     -10507.778      328.2908       328.2908       28126.211      28126.211     -3099.8572     -3099.8572    
      7000  -10422.239     -10422.239     -10506.024     -10506.024      324.25462      324.25462      28112.668      28112.668     -2003.3868     -2003.3868    
Loop time of 46.4286 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.861 ns/day, 12.897 hours/ns, 21.538 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.346     | 46.346     | 46.346     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01489    | 0.01489    | 0.01489    |   0.0 |  0.03
Output  | 3.0848e-05 | 3.0848e-05 | 3.0848e-05 |   0.0 |  0.00
Modify  | 0.061941   | 0.061941   | 0.061941   |   0.0 |  0.13
Other   |            | 0.005274   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221036 ave      221036 max      221036 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221036
Ave neighs/atom = 110.518
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 = 331.650246851562, Press = -28.6098654437157
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10422.239     -10422.239     -10506.024     -10506.024      324.25462      324.25462      28112.668      28112.668     -2003.3868     -2003.3868    
      8000  -10424.795     -10424.795     -10511.918     -10511.918      337.17507      337.17507      28096.038      28096.038     -1554.1139     -1554.1139    
Loop time of 46.4514 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.860 ns/day, 12.903 hours/ns, 21.528 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.369     | 46.369     | 46.369     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0149     | 0.0149     | 0.0149     |   0.0 |  0.03
Output  | 3.0507e-05 | 3.0507e-05 | 3.0507e-05 |   0.0 |  0.00
Modify  | 0.061799   | 0.061799   | 0.061799   |   0.0 |  0.13
Other   |            | 0.005337   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221010 ave      221010 max      221010 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221010
Ave neighs/atom = 110.505
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 = 332.024631521175, Press = -6.32458893037661
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10424.795     -10424.795     -10511.918     -10511.918      337.17507      337.17507      28096.038      28096.038     -1554.1139     -1554.1139    
      9000  -10422.396     -10422.396     -10508.623     -10508.623      333.70827      333.70827      28089.308      28089.308     -956.07254     -956.07254    
Loop time of 46.4359 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.861 ns/day, 12.899 hours/ns, 21.535 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.354     | 46.354     | 46.354     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014953   | 0.014953   | 0.014953   |   0.0 |  0.03
Output  | 2.9866e-05 | 2.9866e-05 | 2.9866e-05 |   0.0 |  0.00
Modify  | 0.061877   | 0.061877   | 0.061877   |   0.0 |  0.13
Other   |            | 0.005273   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221600 ave      221600 max      221600 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221600
Ave neighs/atom = 110.8
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.218477380586, Press = -2.70823143883015
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10422.396     -10422.396     -10508.623     -10508.623      333.70827      333.70827      28089.308      28089.308     -956.07254     -956.07254    
     10000  -10422.833     -10422.833     -10508.948     -10508.948      333.27352      333.27352      28074.407      28074.407     -13.38657      -13.38657     
Loop time of 46.4425 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.860 ns/day, 12.901 hours/ns, 21.532 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.361     | 46.361     | 46.361     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014853   | 0.014853   | 0.014853   |   0.0 |  0.03
Output  | 2.2452e-05 | 2.2452e-05 | 2.2452e-05 |   0.0 |  0.00
Modify  | 0.061759   | 0.061759   | 0.061759   |   0.0 |  0.13
Other   |            | 0.00525    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221472 ave      221472 max      221472 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221472
Ave neighs/atom = 110.736
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.938853317381, Press = -0.997170907200172
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10422.833     -10422.833     -10508.948     -10508.948      333.27352      333.27352      28074.407      28074.407     -13.38657      -13.38657     
     11000  -10421         -10421         -10507.162     -10507.162      333.45782      333.45782      28057.016      28057.016      929.95884      929.95884    
Loop time of 46.4286 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.861 ns/day, 12.897 hours/ns, 21.538 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.346     | 46.346     | 46.346     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014905   | 0.014905   | 0.014905   |   0.0 |  0.03
Output  | 2.9956e-05 | 2.9956e-05 | 2.9956e-05 |   0.0 |  0.00
Modify  | 0.061997   | 0.061997   | 0.061997   |   0.0 |  0.13
Other   |            | 0.005266   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221480 ave      221480 max      221480 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221480
Ave neighs/atom = 110.74
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.818144956528, Press = 6.94725390861798
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10421         -10421         -10507.162     -10507.162      333.45782      333.45782      28057.016      28057.016      929.95884      929.95884    
     12000  -10425.621     -10425.621     -10510.41      -10510.41       328.14121      328.14121      28027.594      28027.594      2122.9233      2122.9233    
Loop time of 46.4301 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.861 ns/day, 12.897 hours/ns, 21.538 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.348     | 46.348     | 46.348     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01489    | 0.01489    | 0.01489    |   0.0 |  0.03
Output  | 3.1169e-05 | 3.1169e-05 | 3.1169e-05 |   0.0 |  0.00
Modify  | 0.061926   | 0.061926   | 0.061926   |   0.0 |  0.13
Other   |            | 0.005316   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221432 ave      221432 max      221432 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221432
Ave neighs/atom = 110.716
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.915543430935, Press = 4.25829952080572
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10425.621     -10425.621     -10510.41      -10510.41       328.14121      328.14121      28027.594      28027.594      2122.9233      2122.9233    
     13000  -10422.218     -10422.218     -10505.535     -10505.535      322.44518      322.44518      28028.226      28028.226      2542.4173      2542.4173    
Loop time of 46.4903 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.858 ns/day, 12.914 hours/ns, 21.510 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.408     | 46.408     | 46.408     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014891   | 0.014891   | 0.014891   |   0.0 |  0.03
Output  | 3.0588e-05 | 3.0588e-05 | 3.0588e-05 |   0.0 |  0.00
Modify  | 0.061879   | 0.061879   | 0.061879   |   0.0 |  0.13
Other   |            | 0.005359   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221726 ave      221726 max      221726 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221726
Ave neighs/atom = 110.863
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.836336808135, Press = 0.224590367412407
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10422.218     -10422.218     -10505.535     -10505.535      322.44518      322.44518      28028.226      28028.226      2542.4173      2542.4173    
     14000  -10420.921     -10420.921     -10510.145     -10510.145      345.3056       345.3056       28038.19       28038.19       1646.7598      1646.7598    
Loop time of 46.4854 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.859 ns/day, 12.913 hours/ns, 21.512 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.403     | 46.403     | 46.403     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014859   | 0.014859   | 0.014859   |   0.0 |  0.03
Output  | 4.6267e-05 | 4.6267e-05 | 4.6267e-05 |   0.0 |  0.00
Modify  | 0.061901   | 0.061901   | 0.061901   |   0.0 |  0.13
Other   |            | 0.005257   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221510 ave      221510 max      221510 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221510
Ave neighs/atom = 110.755
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.640747704772, Press = -2.40187483633058
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10420.921     -10420.921     -10510.145     -10510.145      345.3056       345.3056       28038.19       28038.19       1646.7598      1646.7598    
     15000  -10419.724     -10419.724     -10507.119     -10507.119      338.22745      338.22745      28041.066      28041.066      1869.9866      1869.9866    
Loop time of 46.5266 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.857 ns/day, 12.924 hours/ns, 21.493 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.444     | 46.444     | 46.444     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014934   | 0.014934   | 0.014934   |   0.0 |  0.03
Output  | 3.0417e-05 | 3.0417e-05 | 3.0417e-05 |   0.0 |  0.00
Modify  | 0.061889   | 0.061889   | 0.061889   |   0.0 |  0.13
Other   |            | 0.005313   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221698 ave      221698 max      221698 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221698
Ave neighs/atom = 110.849
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.65034154663, Press = -4.74374799583734
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10419.724     -10419.724     -10507.119     -10507.119      338.22745      338.22745      28041.066      28041.066      1869.9866      1869.9866    
     16000  -10425.704     -10425.704     -10508.81      -10508.81       321.6271       321.6271       28036.936      28036.936      1606.7444      1606.7444    
Loop time of 46.5473 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.856 ns/day, 12.930 hours/ns, 21.484 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.465     | 46.465     | 46.465     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014891   | 0.014891   | 0.014891   |   0.0 |  0.03
Output  | 3.0317e-05 | 3.0317e-05 | 3.0317e-05 |   0.0 |  0.00
Modify  | 0.061885   | 0.061885   | 0.061885   |   0.0 |  0.13
Other   |            | 0.005325   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221608 ave      221608 max      221608 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221608
Ave neighs/atom = 110.804
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.682520015322, Press = -6.21701286931813
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10425.704     -10425.704     -10508.81      -10508.81       321.6271       321.6271       28036.936      28036.936      1606.7444      1606.7444    
     17000  -10422.452     -10422.452     -10507.118     -10507.118      327.66545      327.66545      28054.149      28054.149      866.42431      866.42431    
Loop time of 46.5123 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.858 ns/day, 12.920 hours/ns, 21.500 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.43      | 46.43      | 46.43      |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014952   | 0.014952   | 0.014952   |   0.0 |  0.03
Output  | 3.0287e-05 | 3.0287e-05 | 3.0287e-05 |   0.0 |  0.00
Modify  | 0.061861   | 0.061861   | 0.061861   |   0.0 |  0.13
Other   |            | 0.005316   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221698 ave      221698 max      221698 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221698
Ave neighs/atom = 110.849
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.637257998261, Press = -8.04722804773019
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10422.452     -10422.452     -10507.118     -10507.118      327.66545      327.66545      28054.149      28054.149      866.42431      866.42431    
     18000  -10422.732     -10422.732     -10508.427     -10508.427      331.64892      331.64892      28071.838      28071.838     -52.832233     -52.832233    
Loop time of 46.3997 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.862 ns/day, 12.889 hours/ns, 21.552 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.318     | 46.318     | 46.318     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014884   | 0.014884   | 0.014884   |   0.0 |  0.03
Output  | 2.9405e-05 | 2.9405e-05 | 2.9405e-05 |   0.0 |  0.00
Modify  | 0.061877   | 0.061877   | 0.061877   |   0.0 |  0.13
Other   |            | 0.005271   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221366 ave      221366 max      221366 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221366
Ave neighs/atom = 110.683
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 = 332.433616879101, Press = -8.51211686884292
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10422.732     -10422.732     -10508.427     -10508.427      331.64892      331.64892      28071.838      28071.838     -52.832233     -52.832233    
     19000  -10423.093     -10423.093     -10509.309     -10509.309      333.66466      333.66466      28090.609      28090.609     -1193.3512     -1193.3512    
Loop time of 46.3354 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.865 ns/day, 12.871 hours/ns, 21.582 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.253     | 46.253     | 46.253     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014893   | 0.014893   | 0.014893   |   0.0 |  0.03
Output  | 2.2402e-05 | 2.2402e-05 | 2.2402e-05 |   0.0 |  0.00
Modify  | 0.061884   | 0.061884   | 0.061884   |   0.0 |  0.13
Other   |            | 0.005277   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221462 ave      221462 max      221462 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221462
Ave neighs/atom = 110.731
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.500556805345, Press = -7.49931820944634
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10423.093     -10423.093     -10509.309     -10509.309      333.66466      333.66466      28090.609      28090.609     -1193.3512     -1193.3512    
     20000  -10423.332     -10423.332     -10507.293     -10507.293      324.93672      324.93672      28091.323      28091.323     -1140.6068     -1140.6068    
Loop time of 46.3845 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.863 ns/day, 12.885 hours/ns, 21.559 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.302     | 46.302     | 46.302     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014878   | 0.014878   | 0.014878   |   0.0 |  0.03
Output  | 3.1479e-05 | 3.1479e-05 | 3.1479e-05 |   0.0 |  0.00
Modify  | 0.061876   | 0.061876   | 0.061876   |   0.0 |  0.13
Other   |            | 0.005322   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221450 ave      221450 max      221450 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221450
Ave neighs/atom = 110.725
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.530885929447, Press = -4.39484829805971
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10423.332     -10423.332     -10507.293     -10507.293      324.93672      324.93672      28091.323      28091.323     -1140.6068     -1140.6068    
     21000  -10421.36      -10421.36      -10506.91      -10506.91       331.08872      331.08872      28085.272      28085.272     -721.90881     -721.90881    
Loop time of 46.4262 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.861 ns/day, 12.896 hours/ns, 21.540 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.344     | 46.344     | 46.344     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01487    | 0.01487    | 0.01487    |   0.0 |  0.03
Output  | 3.0537e-05 | 3.0537e-05 | 3.0537e-05 |   0.0 |  0.00
Modify  | 0.061889   | 0.061889   | 0.061889   |   0.0 |  0.13
Other   |            | 0.005284   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221256 ave      221256 max      221256 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221256
Ave neighs/atom = 110.628
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 = 332.764521597333, Press = -2.75209997298408
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10421.36      -10421.36      -10506.91      -10506.91       331.08872      331.08872      28085.272      28085.272     -721.90881     -721.90881    
     22000  -10427.022     -10427.022     -10512.027     -10512.027      328.97776      328.97776      28075.463      28075.463     -739.48916     -739.48916    
Loop time of 46.4286 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.861 ns/day, 12.897 hours/ns, 21.538 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.347     | 46.347     | 46.347     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014925   | 0.014925   | 0.014925   |   0.0 |  0.03
Output  | 3.0017e-05 | 3.0017e-05 | 3.0017e-05 |   0.0 |  0.00
Modify  | 0.061772   | 0.061772   | 0.061772   |   0.0 |  0.13
Other   |            | 0.005317   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221296 ave      221296 max      221296 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221296
Ave neighs/atom = 110.648
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.644307106648, Press = -2.50571243019961
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     22000  -10427.022     -10427.022     -10512.027     -10512.027      328.97776      328.97776      28075.463      28075.463     -739.48916     -739.48916    
     23000  -10422.039     -10422.039     -10508.331     -10508.331      333.95894      333.95894      28077.912      28077.912     -514.13667     -514.13667    
Loop time of 46.4975 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.858 ns/day, 12.916 hours/ns, 21.507 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.416     | 46.416     | 46.416     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014894   | 0.014894   | 0.014894   |   0.0 |  0.03
Output  | 2.2562e-05 | 2.2562e-05 | 2.2562e-05 |   0.0 |  0.00
Modify  | 0.061784   | 0.061784   | 0.061784   |   0.0 |  0.13
Other   |            | 0.005273   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221684 ave      221684 max      221684 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221684
Ave neighs/atom = 110.842
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.607140499846, Press = -2.83770574942151
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10422.039     -10422.039     -10508.331     -10508.331      333.95894      333.95894      28077.912      28077.912     -514.13667     -514.13667    
     24000  -10427.239     -10427.239     -10510.549     -10510.549      322.41918      322.41918      28083.869      28083.869     -986.15484     -986.15484    
Loop time of 46.4457 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.860 ns/day, 12.902 hours/ns, 21.531 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.364     | 46.364     | 46.364     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014889   | 0.014889   | 0.014889   |   0.0 |  0.03
Output  | 3.0898e-05 | 3.0898e-05 | 3.0898e-05 |   0.0 |  0.00
Modify  | 0.061897   | 0.061897   | 0.061897   |   0.0 |  0.13
Other   |            | 0.005288   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221318 ave      221318 max      221318 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221318
Ave neighs/atom = 110.659
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.508554364636, Press = -2.58958826679193
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     24000  -10427.239     -10427.239     -10510.549     -10510.549      322.41918      322.41918      28083.869      28083.869     -986.15484     -986.15484    
     25000  -10420.592     -10420.592     -10506.061     -10506.061      330.77328      330.77328      28115.884      28115.884     -2195.6332     -2195.6332    
Loop time of 46.4809 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.859 ns/day, 12.911 hours/ns, 21.514 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.399     | 46.399     | 46.399     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014882   | 0.014882   | 0.014882   |   0.0 |  0.03
Output  | 3.0157e-05 | 3.0157e-05 | 3.0157e-05 |   0.0 |  0.00
Modify  | 0.06189    | 0.06189    | 0.06189    |   0.0 |  0.13
Other   |            | 0.005319   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221620 ave      221620 max      221620 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221620
Ave neighs/atom = 110.81
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.488706274649, Press = -1.04459847000923
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10420.592     -10420.592     -10506.061     -10506.061      330.77328      330.77328      28115.884      28115.884     -2195.6332     -2195.6332    
     26000  -10424.06      -10424.06      -10508.055     -10508.055      325.07122      325.07122      28108.13       28108.13      -2081.25       -2081.25      
Loop time of 46.3983 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.862 ns/day, 12.888 hours/ns, 21.552 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.316     | 46.316     | 46.316     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014886   | 0.014886   | 0.014886   |   0.0 |  0.03
Output  | 3.2772e-05 | 3.2772e-05 | 3.2772e-05 |   0.0 |  0.00
Modify  | 0.061834   | 0.061834   | 0.061834   |   0.0 |  0.13
Other   |            | 0.005315   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221228 ave      221228 max      221228 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221228
Ave neighs/atom = 110.614
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.632512368829, Press = 1.13521869678043
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     26000  -10424.06      -10424.06      -10508.055     -10508.055      325.07122      325.07122      28108.13       28108.13      -2081.25       -2081.25      
     27000  -10419.207     -10419.207     -10506.857     -10506.857      339.21521      339.21521      28088.697      28088.697     -592.63843     -592.63843    
Loop time of 46.4825 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.859 ns/day, 12.912 hours/ns, 21.513 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.401     | 46.401     | 46.401     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014903   | 0.014903   | 0.014903   |   0.0 |  0.03
Output  | 2.3304e-05 | 2.3304e-05 | 2.3304e-05 |   0.0 |  0.00
Modify  | 0.061791   | 0.061791   | 0.061791   |   0.0 |  0.13
Other   |            | 0.005301   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221460 ave      221460 max      221460 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221460
Ave neighs/atom = 110.73
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.70561635274, Press = 0.549563272008208
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10419.207     -10419.207     -10506.857     -10506.857      339.21521      339.21521      28088.697      28088.697     -592.63843     -592.63843    
     28000  -10425.949     -10425.949     -10509.739     -10509.739      324.27524      324.27524      28062.322      28062.322      273.10468      273.10468    
Loop time of 46.4723 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.859 ns/day, 12.909 hours/ns, 21.518 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.39      | 46.39      | 46.39      |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014902   | 0.014902   | 0.014902   |   0.0 |  0.03
Output  | 3.3353e-05 | 3.3353e-05 | 3.3353e-05 |   0.0 |  0.00
Modify  | 0.061771   | 0.061771   | 0.061771   |   0.0 |  0.13
Other   |            | 0.005373   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221322 ave      221322 max      221322 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221322
Ave neighs/atom = 110.661
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.745824044956, Press = -0.559224543030338
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10425.949     -10425.949     -10509.739     -10509.739      324.27524      324.27524      28062.322      28062.322      273.10468      273.10468    
     29000  -10421.361     -10421.361     -10509.388     -10509.388      340.67328      340.67328      28066.2        28066.2        330.82895      330.82895    
Loop time of 46.5277 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.857 ns/day, 12.924 hours/ns, 21.493 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.446     | 46.446     | 46.446     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014888   | 0.014888   | 0.014888   |   0.0 |  0.03
Output  | 3.7791e-05 | 3.7791e-05 | 3.7791e-05 |   0.0 |  0.00
Modify  | 0.061889   | 0.061889   | 0.061889   |   0.0 |  0.13
Other   |            | 0.005317   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221462 ave      221462 max      221462 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221462
Ave neighs/atom = 110.731
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.637232280418, Press = -0.991540695135162
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10421.361     -10421.361     -10509.388     -10509.388      340.67328      340.67328      28066.2        28066.2        330.82895      330.82895    
     30000  -10424.894     -10424.894     -10511.05      -10511.05       333.43331      333.43331      28057.498      28057.498      528.69015      528.69015    
Loop time of 46.3927 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.862 ns/day, 12.887 hours/ns, 21.555 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.311     | 46.311     | 46.311     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014854   | 0.014854   | 0.014854   |   0.0 |  0.03
Output  | 3.1429e-05 | 3.1429e-05 | 3.1429e-05 |   0.0 |  0.00
Modify  | 0.061844   | 0.061844   | 0.061844   |   0.0 |  0.13
Other   |            | 0.005267   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221420 ave      221420 max      221420 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221420
Ave neighs/atom = 110.71
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.646500276816, Press = -1.26217821387258
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10424.894     -10424.894     -10511.05      -10511.05       333.43331      333.43331      28057.498      28057.498      528.69015      528.69015    
     31000  -10423.553     -10423.553     -10507.204     -10507.204      323.73938      323.73938      28008.785      28008.785      3566.2996      3566.2996    
Loop time of 46.3646 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.863 ns/day, 12.879 hours/ns, 21.568 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.282     | 46.282     | 46.282     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014875   | 0.014875   | 0.014875   |   0.0 |  0.03
Output  | 2.8824e-05 | 2.8824e-05 | 2.8824e-05 |   0.0 |  0.00
Modify  | 0.061884   | 0.061884   | 0.061884   |   0.0 |  0.13
Other   |            | 0.005315   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221662 ave      221662 max      221662 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221662
Ave neighs/atom = 110.831
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.623067293292, Press = -1.30788096183816
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10423.553     -10423.553     -10507.204     -10507.204      323.73938      323.73938      28008.785      28008.785      3566.2996      3566.2996    
     32000  -10420.292     -10420.292     -10508.121     -10508.121      339.90878      339.90878      28014.149      28014.149      3135.258       3135.258     
Loop time of 46.7038 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.850 ns/day, 12.973 hours/ns, 21.412 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.621     | 46.621     | 46.621     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015004   | 0.015004   | 0.015004   |   0.0 |  0.03
Output  | 4.1488e-05 | 4.1488e-05 | 4.1488e-05 |   0.0 |  0.00
Modify  | 0.062422   | 0.062422   | 0.062422   |   0.0 |  0.13
Other   |            | 0.00537    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221640 ave      221640 max      221640 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221640
Ave neighs/atom = 110.82
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 = 332.562399681804, Press = -2.93476099657106
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10420.292     -10420.292     -10508.121     -10508.121      339.90878      339.90878      28014.149      28014.149      3135.258       3135.258     
     33000  -10425.732     -10425.732     -10509.366     -10509.366      323.6741       323.6741       28043.188      28043.188      1353.9482      1353.9482    
Loop time of 46.9866 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.839 ns/day, 13.052 hours/ns, 21.283 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.903     | 46.903     | 46.903     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015078   | 0.015078   | 0.015078   |   0.0 |  0.03
Output  | 3.4014e-05 | 3.4014e-05 | 3.4014e-05 |   0.0 |  0.00
Modify  | 0.062805   | 0.062805   | 0.062805   |   0.0 |  0.13
Other   |            | 0.005634   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221546 ave      221546 max      221546 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221546
Ave neighs/atom = 110.773
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.572542089754, Press = -2.96299413006476
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10425.732     -10425.732     -10509.366     -10509.366      323.6741       323.6741       28043.188      28043.188      1353.9482      1353.9482    
     34000  -10421.728     -10421.728     -10507.607     -10507.607      332.36273      332.36273      28066.012      28066.012      371.50809      371.50809    
Loop time of 47.2525 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.828 ns/day, 13.126 hours/ns, 21.163 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    | 47.169     | 47.169     | 47.169     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015164   | 0.015164   | 0.015164   |   0.0 |  0.03
Output  | 5.5494e-05 | 5.5494e-05 | 5.5494e-05 |   0.0 |  0.00
Modify  | 0.062805   | 0.062805   | 0.062805   |   0.0 |  0.13
Other   |            | 0.005606   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221646 ave      221646 max      221646 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221646
Ave neighs/atom = 110.823
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.486703206133, Press = -2.69249445524368
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10421.728     -10421.728     -10507.607     -10507.607      332.36273      332.36273      28066.012      28066.012      371.50809      371.50809    
     35000  -10425.389     -10425.389     -10510.585     -10510.585      329.71719      329.71719      28071.6        28071.6       -93.717097     -93.717097    
Loop time of 47.1333 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.833 ns/day, 13.093 hours/ns, 21.216 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 47.05      | 47.05      | 47.05      |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015134   | 0.015134   | 0.015134   |   0.0 |  0.03
Output  | 4.4183e-05 | 4.4183e-05 | 4.4183e-05 |   0.0 |  0.00
Modify  | 0.062511   | 0.062511   | 0.062511   |   0.0 |  0.13
Other   |            | 0.005593   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221552 ave      221552 max      221552 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221552
Ave neighs/atom = 110.776
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.497845256853, Press = -2.58315727434478
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10425.389     -10425.389     -10510.585     -10510.585      329.71719      329.71719      28071.6        28071.6       -93.717097     -93.717097    
     36000  -10422.632     -10422.632     -10508.816     -10508.816      333.54124      333.54124      28088.811      28088.811     -879.50868     -879.50868    
Loop time of 47.1535 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.832 ns/day, 13.098 hours/ns, 21.207 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 47.07      | 47.07      | 47.07      |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015084   | 0.015084   | 0.015084   |   0.0 |  0.03
Output  | 4.0305e-05 | 4.0305e-05 | 4.0305e-05 |   0.0 |  0.00
Modify  | 0.062626   | 0.062626   | 0.062626   |   0.0 |  0.13
Other   |            | 0.005561   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221622 ave      221622 max      221622 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221622
Ave neighs/atom = 110.811
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.587580885838, Press = -2.30037864575848
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10422.632     -10422.632     -10508.816     -10508.816      333.54124      333.54124      28088.811      28088.811     -879.50868     -879.50868    
     37000  -10420.428     -10420.428     -10508.111     -10508.111      339.34074      339.34074      28133.445      28133.445     -3212.0488     -3212.0488    
Loop time of 47.1465 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.833 ns/day, 13.096 hours/ns, 21.210 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    | 47.063     | 47.063     | 47.063     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015074   | 0.015074   | 0.015074   |   0.0 |  0.03
Output  | 3.1309e-05 | 3.1309e-05 | 3.1309e-05 |   0.0 |  0.00
Modify  | 0.062562   | 0.062562   | 0.062562   |   0.0 |  0.13
Other   |            | 0.005547   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221472 ave      221472 max      221472 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221472
Ave neighs/atom = 110.736
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.655943060941, Press = -2.28902584807768
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10420.428     -10420.428     -10508.111     -10508.111      339.34074      339.34074      28133.445      28133.445     -3212.0488     -3212.0488    
     38000  -10425.802     -10425.802     -10511.312     -10511.312      330.93343      330.93343      28137.19       28137.19      -3787.7771     -3787.7771    
Loop time of 47.0649 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.836 ns/day, 13.074 hours/ns, 21.247 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.981     | 46.981     | 46.981     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015153   | 0.015153   | 0.015153   |   0.0 |  0.03
Output  | 3.0908e-05 | 3.0908e-05 | 3.0908e-05 |   0.0 |  0.00
Modify  | 0.062808   | 0.062808   | 0.062808   |   0.0 |  0.13
Other   |            | 0.005572   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221148 ave      221148 max      221148 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221148
Ave neighs/atom = 110.574
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.715803359214, Press = -0.851387895917682
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     38000  -10425.802     -10425.802     -10511.312     -10511.312      330.93343      330.93343      28137.19       28137.19      -3787.7771     -3787.7771    
     39000  -10422.186     -10422.186     -10508.566     -10508.566      334.30224      334.30224      28104.179      28104.179     -1644.8416     -1644.8416    
Loop time of 47.1088 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.834 ns/day, 13.086 hours/ns, 21.227 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 47.025     | 47.025     | 47.025     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015147   | 0.015147   | 0.015147   |   0.0 |  0.03
Output  | 3.1199e-05 | 3.1199e-05 | 3.1199e-05 |   0.0 |  0.00
Modify  | 0.062906   | 0.062906   | 0.062906   |   0.0 |  0.13
Other   |            | 0.005579   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221424 ave      221424 max      221424 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221424
Ave neighs/atom = 110.712
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.704143694338, Press = -0.190514424561687
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10422.186     -10422.186     -10508.566     -10508.566      334.30224      334.30224      28104.179      28104.179     -1644.8416     -1644.8416    
     40000  -10425.776     -10425.776     -10509.586     -10509.586      324.35409      324.35409      28077.671      28077.671     -563.19331     -563.19331    
Loop time of 47.2002 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.830 ns/day, 13.111 hours/ns, 21.186 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 47.117     | 47.117     | 47.117     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015128   | 0.015128   | 0.015128   |   0.0 |  0.03
Output  | 2.3804e-05 | 2.3804e-05 | 2.3804e-05 |   0.0 |  0.00
Modify  | 0.062769   | 0.062769   | 0.062769   |   0.0 |  0.13
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:       221514 ave      221514 max      221514 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221514
Ave neighs/atom = 110.757
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.660331868204, Press = -0.0606081912861445
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10425.776     -10425.776     -10509.586     -10509.586      324.35409      324.35409      28077.671      28077.671     -563.19331     -563.19331    
     41000  -10420.325     -10420.325     -10509.637     -10509.637      345.64664      345.64664      28070.32       28070.32       55.179045      55.179045    
Loop time of 47.3253 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.826 ns/day, 13.146 hours/ns, 21.130 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    | 47.242     | 47.242     | 47.242     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015141   | 0.015141   | 0.015141   |   0.0 |  0.03
Output  | 3.1068e-05 | 3.1068e-05 | 3.1068e-05 |   0.0 |  0.00
Modify  | 0.062701   | 0.062701   | 0.062701   |   0.0 |  0.13
Other   |            | 0.005546   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221552 ave      221552 max      221552 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221552
Ave neighs/atom = 110.776
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.684468773377, Press = 0.135757441165313
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10420.325     -10420.325     -10509.637     -10509.637      345.64664      345.64664      28070.32       28070.32       55.179045      55.179045    
     42000  -10423.68      -10423.68      -10511.213     -10511.213      338.76461      338.76461      28050.732      28050.732      843.79835      843.79835    
Loop time of 47.2065 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.830 ns/day, 13.113 hours/ns, 21.184 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 47.123     | 47.123     | 47.123     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015166   | 0.015166   | 0.015166   |   0.0 |  0.03
Output  | 3.5507e-05 | 3.5507e-05 | 3.5507e-05 |   0.0 |  0.00
Modify  | 0.062836   | 0.062836   | 0.062836   |   0.0 |  0.13
Other   |            | 0.005593   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221572 ave      221572 max      221572 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221572
Ave neighs/atom = 110.786
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.770885560838, Press = 0.0538683675820747
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10423.68      -10423.68      -10511.213     -10511.213      338.76461      338.76461      28050.732      28050.732      843.79835      843.79835    
     43000  -10422.216     -10422.216     -10507.642     -10507.642      330.6051       330.6051       28009.564      28009.564      3254.9265      3254.9265    
Loop time of 47.1519 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.832 ns/day, 13.098 hours/ns, 21.208 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 47.068     | 47.068     | 47.068     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015224   | 0.015224   | 0.015224   |   0.0 |  0.03
Output  | 3.1188e-05 | 3.1188e-05 | 3.1188e-05 |   0.0 |  0.00
Modify  | 0.062767   | 0.062767   | 0.062767   |   0.0 |  0.13
Other   |            | 0.005594   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221672 ave      221672 max      221672 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221672
Ave neighs/atom = 110.836
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.768168981877, Press = 0.623971530896848
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10422.216     -10422.216     -10507.642     -10507.642      330.6051       330.6051       28009.564      28009.564      3254.9265      3254.9265    
     44000  -10426.07      -10426.07      -10513.245     -10513.245      337.37291      337.37291      27974.409      27974.409      4654.3579      4654.3579    
Loop time of 47.0478 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.836 ns/day, 13.069 hours/ns, 21.255 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.964     | 46.964     | 46.964     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015141   | 0.015141   | 0.015141   |   0.0 |  0.03
Output  | 2.8984e-05 | 2.8984e-05 | 2.8984e-05 |   0.0 |  0.00
Modify  | 0.062779   | 0.062779   | 0.062779   |   0.0 |  0.13
Other   |            | 0.005577   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221478 ave      221478 max      221478 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221478
Ave neighs/atom = 110.739
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 = 332.739196980779, Press = -0.536665059478608
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10426.07      -10426.07      -10513.245     -10513.245      337.37291      337.37291      27974.409      27974.409      4654.3579      4654.3579    
     45000  -10418.959     -10418.959     -10507.519     -10507.519      342.737        342.737        28040.046      28040.046      1873.8904      1873.8904    
Loop time of 47.264 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.828 ns/day, 13.129 hours/ns, 21.158 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    | 47.181     | 47.181     | 47.181     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015141   | 0.015141   | 0.015141   |   0.0 |  0.03
Output  | 2.3915e-05 | 2.3915e-05 | 2.3915e-05 |   0.0 |  0.00
Modify  | 0.062711   | 0.062711   | 0.062711   |   0.0 |  0.13
Other   |            | 0.005561   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221960 ave      221960 max      221960 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221960
Ave neighs/atom = 110.98
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.728521614313, Press = -1.24333131402967
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10418.959     -10418.959     -10507.519     -10507.519      342.737        342.737        28040.046      28040.046      1873.8904      1873.8904    
     46000  -10422.942     -10422.942     -10509.161     -10509.161      333.67542      333.67542      28046.509      28046.509      1271.0334      1271.0334    
Loop time of 46.8625 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.844 ns/day, 13.017 hours/ns, 21.339 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.779     | 46.779     | 46.779     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015071   | 0.015071   | 0.015071   |   0.0 |  0.03
Output  | 3.204e-05  | 3.204e-05  | 3.204e-05  |   0.0 |  0.00
Modify  | 0.062321   | 0.062321   | 0.062321   |   0.0 |  0.13
Other   |            | 0.005543   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221598 ave      221598 max      221598 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221598
Ave neighs/atom = 110.799
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.748593932456, Press = -1.74532998728215
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10422.942     -10422.942     -10509.161     -10509.161      333.67542      333.67542      28046.509      28046.509      1271.0334      1271.0334    
     47000  -10421.669     -10421.669     -10508.816     -10508.816      337.26528      337.26528      28070.701      28070.701     -127.87215     -127.87215    
Loop time of 46.848 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.844 ns/day, 13.013 hours/ns, 21.346 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.765     | 46.765     | 46.765     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015105   | 0.015105   | 0.015105   |   0.0 |  0.03
Output  | 3.1499e-05 | 3.1499e-05 | 3.1499e-05 |   0.0 |  0.00
Modify  | 0.062302   | 0.062302   | 0.062302   |   0.0 |  0.13
Other   |            | 0.005583   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221662 ave      221662 max      221662 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221662
Ave neighs/atom = 110.831
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.757184588197, Press = -1.92836794265584
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10421.669     -10421.669     -10508.816     -10508.816      337.26528      337.26528      28070.701      28070.701     -127.87215     -127.87215    
     48000  -10426.897     -10426.897     -10510.223     -10510.223      322.48279      322.48279      28076.726      28076.726     -638.26088     -638.26088    
Loop time of 46.7974 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.846 ns/day, 12.999 hours/ns, 21.369 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.715     | 46.715     | 46.715     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015004   | 0.015004   | 0.015004   |   0.0 |  0.03
Output  | 3.222e-05  | 3.222e-05  | 3.222e-05  |   0.0 |  0.00
Modify  | 0.062073   | 0.062073   | 0.062073   |   0.0 |  0.13
Other   |            | 0.005543   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221504 ave      221504 max      221504 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221504
Ave neighs/atom = 110.752
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.715615355746, Press = -2.02143862597296
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10426.897     -10426.897     -10510.223     -10510.223      322.48279      322.48279      28076.726      28076.726     -638.26088     -638.26088    
     49000  -10424.231     -10424.231     -10509.624     -10509.624      330.48158      330.48158      28106.983      28106.983     -2170.8505     -2170.8505    
Loop time of 46.7106 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.850 ns/day, 12.975 hours/ns, 21.408 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.628     | 46.628     | 46.628     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014961   | 0.014961   | 0.014961   |   0.0 |  0.03
Output  | 2.3354e-05 | 2.3354e-05 | 2.3354e-05 |   0.0 |  0.00
Modify  | 0.062015   | 0.062015   | 0.062015   |   0.0 |  0.13
Other   |            | 0.005487   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221564 ave      221564 max      221564 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221564
Ave neighs/atom = 110.782
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 = 332.746033545117, Press = -2.08207243965199
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10424.231     -10424.231     -10509.624     -10509.624      330.48158      330.48158      28106.983      28106.983     -2170.8505     -2170.8505    
     50000  -10420.96      -10420.96      -10506.343     -10506.343      330.44238      330.44238      28145.451      28145.451     -3814.1056     -3814.1056    
Loop time of 46.4823 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.859 ns/day, 12.912 hours/ns, 21.514 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.4       | 46.4       | 46.4       |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014979   | 0.014979   | 0.014979   |   0.0 |  0.03
Output  | 3.2211e-05 | 3.2211e-05 | 3.2211e-05 |   0.0 |  0.00
Modify  | 0.061983   | 0.061983   | 0.061983   |   0.0 |  0.13
Other   |            | 0.005531   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221396 ave      221396 max      221396 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221396
Ave neighs/atom = 110.698
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.769961209024, Press = -1.77566404797086
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10420.96      -10420.96      -10506.343     -10506.343      330.44238      330.44238      28145.451      28145.451     -3814.1056     -3814.1056    
     51000  -10426.202     -10426.202     -10510.339     -10510.339      325.61672      325.61672      28094.413      28094.413     -1611.8291     -1611.8291    
Loop time of 46.6283 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.853 ns/day, 12.952 hours/ns, 21.446 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.546     | 46.546     | 46.546     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015039   | 0.015039   | 0.015039   |   0.0 |  0.03
Output  | 3.0707e-05 | 3.0707e-05 | 3.0707e-05 |   0.0 |  0.00
Modify  | 0.062196   | 0.062196   | 0.062196   |   0.0 |  0.13
Other   |            | 0.005507   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221186 ave      221186 max      221186 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221186
Ave neighs/atom = 110.593
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 = 332.744465806804, Press = -0.547805001813252
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10426.202     -10426.202     -10510.339     -10510.339      325.61672      325.61672      28094.413      28094.413     -1611.8291     -1611.8291    
     52000  -10423.76      -10423.76      -10508.623     -10508.623      328.42993      328.42993      28084.65       28084.65      -883.94939     -883.94939    
Loop time of 46.5834 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.855 ns/day, 12.940 hours/ns, 21.467 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.501     | 46.501     | 46.501     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015023   | 0.015023   | 0.015023   |   0.0 |  0.03
Output  | 5.1386e-05 | 5.1386e-05 | 5.1386e-05 |   0.0 |  0.00
Modify  | 0.062118   | 0.062118   | 0.062118   |   0.0 |  0.13
Other   |            | 0.00551    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221494 ave      221494 max      221494 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221494
Ave neighs/atom = 110.747
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.739813380726, Press = -0.234378000766636
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10423.76      -10423.76      -10508.623     -10508.623      328.42993      328.42993      28084.65       28084.65      -883.94939     -883.94939    
     53000  -10421.911     -10421.911     -10507.844     -10507.844      332.56809      332.56809      28083.222      28083.222     -713.94919     -713.94919    
Loop time of 46.7085 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.850 ns/day, 12.975 hours/ns, 21.409 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.626     | 46.626     | 46.626     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014943   | 0.014943   | 0.014943   |   0.0 |  0.03
Output  | 2.9175e-05 | 2.9175e-05 | 2.9175e-05 |   0.0 |  0.00
Modify  | 0.06202    | 0.06202    | 0.06202    |   0.0 |  0.13
Other   |            | 0.005526   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221416 ave      221416 max      221416 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221416
Ave neighs/atom = 110.708
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.696569094104, Press = 0.115933005781219
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10421.911     -10421.911     -10507.844     -10507.844      332.56809      332.56809      28083.222      28083.222     -713.94919     -713.94919    
     54000  -10425.299     -10425.299     -10509.553     -10509.553      326.07109      326.07109      28070.973      28070.973     -223.4021      -223.4021     
Loop time of 46.7555 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.848 ns/day, 12.988 hours/ns, 21.388 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.673     | 46.673     | 46.673     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015007   | 0.015007   | 0.015007   |   0.0 |  0.03
Output  | 2.3955e-05 | 2.3955e-05 | 2.3955e-05 |   0.0 |  0.00
Modify  | 0.062159   | 0.062159   | 0.062159   |   0.0 |  0.13
Other   |            | 0.005516   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221484 ave      221484 max      221484 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221484
Ave neighs/atom = 110.742
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.675098904246, Press = 0.773988246698843
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     54000  -10425.299     -10425.299     -10509.553     -10509.553      326.07109      326.07109      28070.973      28070.973     -223.4021      -223.4021     
     55000  -10419.837     -10419.837     -10508.507     -10508.507      343.16331      343.16331      28042.892      28042.892      1568.7387      1568.7387    
Loop time of 46.7173 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.849 ns/day, 12.977 hours/ns, 21.405 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.635     | 46.635     | 46.635     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015006   | 0.015006   | 0.015006   |   0.0 |  0.03
Output  | 3.8032e-05 | 3.8032e-05 | 3.8032e-05 |   0.0 |  0.00
Modify  | 0.062132   | 0.062132   | 0.062132   |   0.0 |  0.13
Other   |            | 0.005543   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221572 ave      221572 max      221572 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221572
Ave neighs/atom = 110.786
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.657146526102, Press = 2.10598358276826
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10419.837     -10419.837     -10508.507     -10508.507      343.16331      343.16331      28042.892      28042.892      1568.7387      1568.7387    
     56000  -10424.085     -10424.085     -10509.921     -10509.921      332.19355      332.19355      28035.517      28035.517      1743.8626      1743.8626    
Loop time of 46.5111 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.858 ns/day, 12.920 hours/ns, 21.500 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.429     | 46.429     | 46.429     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014948   | 0.014948   | 0.014948   |   0.0 |  0.03
Output  | 4.4042e-05 | 4.4042e-05 | 4.4042e-05 |   0.0 |  0.00
Modify  | 0.062035   | 0.062035   | 0.062035   |   0.0 |  0.13
Other   |            | 0.005505   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221628 ave      221628 max      221628 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221628
Ave neighs/atom = 110.814
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.635509952531, Press = 0.512765489418611
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10424.085     -10424.085     -10509.921     -10509.921      332.19355      332.19355      28035.517      28035.517      1743.8626      1743.8626    
     57000  -10423.068     -10423.068     -10507.345     -10507.345      326.16443      326.16443      28048.104      28048.104      1278.1894      1278.1894    
Loop time of 46.6216 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.853 ns/day, 12.950 hours/ns, 21.449 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.539     | 46.539     | 46.539     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01498    | 0.01498    | 0.01498    |   0.0 |  0.03
Output  | 3.1749e-05 | 3.1749e-05 | 3.1749e-05 |   0.0 |  0.00
Modify  | 0.062131   | 0.062131   | 0.062131   |   0.0 |  0.13
Other   |            | 0.005514   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221624 ave      221624 max      221624 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221624
Ave neighs/atom = 110.812
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.61662281064, Press = -0.343964348579362
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10423.068     -10423.068     -10507.345     -10507.345      326.16443      326.16443      28048.104      28048.104      1278.1894      1278.1894    
     58000  -10423.831     -10423.831     -10509.256     -10509.256      330.60408      330.60408      28051.651      28051.651      1025.3917      1025.3917    
Loop time of 46.7226 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.849 ns/day, 12.979 hours/ns, 21.403 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.64      | 46.64      | 46.64      |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014983   | 0.014983   | 0.014983   |   0.0 |  0.03
Output  | 2.3624e-05 | 2.3624e-05 | 2.3624e-05 |   0.0 |  0.00
Modify  | 0.062169   | 0.062169   | 0.062169   |   0.0 |  0.13
Other   |            | 0.005494   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221634 ave      221634 max      221634 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221634
Ave neighs/atom = 110.817
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.567717782573, Press = -0.630042687468818
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10423.831     -10423.831     -10509.256     -10509.256      330.60408      330.60408      28051.651      28051.651      1025.3917      1025.3917    
     59000  -10421.359     -10421.359     -10510.901     -10510.901      346.5355       346.5355       28053.382      28053.382      829.00504      829.00504    
Loop time of 46.7999 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.846 ns/day, 13.000 hours/ns, 21.368 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.717     | 46.717     | 46.717     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015037   | 0.015037   | 0.015037   |   0.0 |  0.03
Output  | 3.2621e-05 | 3.2621e-05 | 3.2621e-05 |   0.0 |  0.00
Modify  | 0.062257   | 0.062257   | 0.062257   |   0.0 |  0.13
Other   |            | 0.005529   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221754 ave      221754 max      221754 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221754
Ave neighs/atom = 110.877
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.579508772589, Press = -0.89703603330093
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10421.359     -10421.359     -10510.901     -10510.901      346.5355       346.5355       28053.382      28053.382      829.00504      829.00504    
     60000  -10422.163     -10422.163     -10507.296     -10507.296      329.47178      329.47178      28049.579      28049.579      1284.0065      1284.0065    
Loop time of 46.6699 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.851 ns/day, 12.964 hours/ns, 21.427 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.587     | 46.587     | 46.587     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014991   | 0.014991   | 0.014991   |   0.0 |  0.03
Output  | 3.1439e-05 | 3.1439e-05 | 3.1439e-05 |   0.0 |  0.00
Modify  | 0.062332   | 0.062332   | 0.062332   |   0.0 |  0.13
Other   |            | 0.005535   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221752 ave      221752 max      221752 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221752
Ave neighs/atom = 110.876
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.590639447734, Press = -1.5992896720235
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10422.163     -10422.163     -10507.296     -10507.296      329.47178      329.47178      28049.579      28049.579      1284.0065      1284.0065    
     61000  -10420.407     -10420.407     -10508.143     -10508.143      339.55047      339.55047      28073.463      28073.463      140.17967      140.17967    
Loop time of 46.7313 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.849 ns/day, 12.981 hours/ns, 21.399 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.648     | 46.648     | 46.648     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01503    | 0.01503    | 0.01503    |   0.0 |  0.03
Output  | 3.1008e-05 | 3.1008e-05 | 3.1008e-05 |   0.0 |  0.00
Modify  | 0.062233   | 0.062233   | 0.062233   |   0.0 |  0.13
Other   |            | 0.005561   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221608 ave      221608 max      221608 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221608
Ave neighs/atom = 110.804
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.670986860039, Press = -1.84925512279309
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10420.407     -10420.407     -10508.143     -10508.143      339.55047      339.55047      28073.463      28073.463      140.17967      140.17967    
     62000  -10423.767     -10423.767     -10509.688     -10509.688      332.52234      332.52234      28086.954      28086.954     -900.49201     -900.49201    
Loop time of 46.7107 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.850 ns/day, 12.975 hours/ns, 21.408 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.628     | 46.628     | 46.628     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014983   | 0.014983   | 0.014983   |   0.0 |  0.03
Output  | 2.8714e-05 | 2.8714e-05 | 2.8714e-05 |   0.0 |  0.00
Modify  | 0.062127   | 0.062127   | 0.062127   |   0.0 |  0.13
Other   |            | 0.005529   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221644 ave      221644 max      221644 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221644
Ave neighs/atom = 110.822
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.706180841481, Press = -1.33629346704206
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10423.767     -10423.767     -10509.688     -10509.688      332.52234      332.52234      28086.954      28086.954     -900.49201     -900.49201    
     63000  -10426.631     -10426.631     -10509.769     -10509.769      321.75367      321.75367      28085.465      28085.465     -933.77779     -933.77779    
Loop time of 46.625 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.853 ns/day, 12.951 hours/ns, 21.448 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.542     | 46.542     | 46.542     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014971   | 0.014971   | 0.014971   |   0.0 |  0.03
Output  | 2.3454e-05 | 2.3454e-05 | 2.3454e-05 |   0.0 |  0.00
Modify  | 0.062218   | 0.062218   | 0.062218   |   0.0 |  0.13
Other   |            | 0.005512   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221644 ave      221644 max      221644 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221644
Ave neighs/atom = 110.822
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.735440387563, Press = -0.761649889454555
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10426.631     -10426.631     -10509.769     -10509.769      321.75367      321.75367      28085.465      28085.465     -933.77779     -933.77779    
     64000  -10422.197     -10422.197     -10507.479     -10507.479      330.05057      330.05057      28094.655      28094.655     -1158.7665     -1158.7665    
Loop time of 46.6187 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.853 ns/day, 12.950 hours/ns, 21.451 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.536     | 46.536     | 46.536     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015087   | 0.015087   | 0.015087   |   0.0 |  0.03
Output  | 3.8943e-05 | 3.8943e-05 | 3.8943e-05 |   0.0 |  0.00
Modify  | 0.062108   | 0.062108   | 0.062108   |   0.0 |  0.13
Other   |            | 0.005498   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221640 ave      221640 max      221640 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221640
Ave neighs/atom = 110.82
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 = 332.696261485446, Press = -0.675262941045883
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10422.197     -10422.197     -10507.479     -10507.479      330.05057      330.05057      28094.655      28094.655     -1158.7665     -1158.7665    
     65000  -10427.691     -10427.691     -10510.572     -10510.572      320.7552       320.7552       28119.668      28119.668     -2985.0695     -2985.0695    
Loop time of 46.5927 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.854 ns/day, 12.942 hours/ns, 21.463 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.51      | 46.51      | 46.51      |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014973   | 0.014973   | 0.014973   |   0.0 |  0.03
Output  | 3.7681e-05 | 3.7681e-05 | 3.7681e-05 |   0.0 |  0.00
Modify  | 0.062178   | 0.062178   | 0.062178   |   0.0 |  0.13
Other   |            | 0.005503   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221326 ave      221326 max      221326 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221326
Ave neighs/atom = 110.663
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 = 332.676169294518, Press = -0.457449429336025
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10427.691     -10427.691     -10510.572     -10510.572      320.7552       320.7552       28119.668      28119.668     -2985.0695     -2985.0695    
     66000  -10421.879     -10421.879     -10507.872     -10507.872      332.80299      332.80299      28130.468      28130.468     -3016.0366     -3016.0366    
Loop time of 46.6524 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.852 ns/day, 12.959 hours/ns, 21.435 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.57      | 46.57      | 46.57      |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014925   | 0.014925   | 0.014925   |   0.0 |  0.03
Output  | 3.7901e-05 | 3.7901e-05 | 3.7901e-05 |   0.0 |  0.00
Modify  | 0.062014   | 0.062014   | 0.062014   |   0.0 |  0.13
Other   |            | 0.005455   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221468 ave      221468 max      221468 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221468
Ave neighs/atom = 110.734
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.671726810078, Press = 0.354500381079697
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10421.879     -10421.879     -10507.872     -10507.872      332.80299      332.80299      28130.468      28130.468     -3016.0366     -3016.0366    
     67000  -10424.547     -10424.547     -10510.086     -10510.086      331.04545      331.04545      28089.277      28089.277     -1110.6659     -1110.6659    
Loop time of 46.6653 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.851 ns/day, 12.963 hours/ns, 21.429 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.583     | 46.583     | 46.583     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014954   | 0.014954   | 0.014954   |   0.0 |  0.03
Output  | 3.1409e-05 | 3.1409e-05 | 3.1409e-05 |   0.0 |  0.00
Modify  | 0.062059   | 0.062059   | 0.062059   |   0.0 |  0.13
Other   |            | 0.005474   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221326 ave      221326 max      221326 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221326
Ave neighs/atom = 110.663
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 = 332.657397711717, Press = 0.319355768471174
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10424.547     -10424.547     -10510.086     -10510.086      331.04545      331.04545      28089.277      28089.277     -1110.6659     -1110.6659    
     68000  -10426.097     -10426.097     -10510.827     -10510.827      327.91137      327.91137      28069.559      28069.559     -118.365       -118.365      
Loop time of 46.61 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.854 ns/day, 12.947 hours/ns, 21.455 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.527     | 46.527     | 46.527     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015005   | 0.015005   | 0.015005   |   0.0 |  0.03
Output  | 3.9985e-05 | 3.9985e-05 | 3.9985e-05 |   0.0 |  0.00
Modify  | 0.06202    | 0.06202    | 0.06202    |   0.0 |  0.13
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:       221602 ave      221602 max      221602 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221602
Ave neighs/atom = 110.801
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.675225466186, Press = 0.357504948463524
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10426.097     -10426.097     -10510.827     -10510.827      327.91137      327.91137      28069.559      28069.559     -118.365       -118.365      
     69000  -10422.897     -10422.897     -10505.907     -10505.907      321.25505      321.25505      28059.87       28059.87       846.7557       846.7557     
Loop time of 46.6865 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.851 ns/day, 12.968 hours/ns, 21.419 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.604     | 46.604     | 46.604     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014902   | 0.014902   | 0.014902   |   0.0 |  0.03
Output  | 3.6589e-05 | 3.6589e-05 | 3.6589e-05 |   0.0 |  0.00
Modify  | 0.062066   | 0.062066   | 0.062066   |   0.0 |  0.13
Other   |            | 0.005484   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221572 ave      221572 max      221572 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221572
Ave neighs/atom = 110.786
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.638994130978, Press = 0.385053851161079
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10422.897     -10422.897     -10505.907     -10505.907      321.25505      321.25505      28059.87       28059.87       846.7557       846.7557     
     70000  -10422.811     -10422.811     -10509.177     -10509.177      334.24529      334.24529      28041.605      28041.605      1631.2849      1631.2849    
Loop time of 46.5743 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.855 ns/day, 12.937 hours/ns, 21.471 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.492     | 46.492     | 46.492     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01498    | 0.01498    | 0.01498    |   0.0 |  0.03
Output  | 3.7952e-05 | 3.7952e-05 | 3.7952e-05 |   0.0 |  0.00
Modify  | 0.061929   | 0.061929   | 0.061929   |   0.0 |  0.13
Other   |            | 0.005466   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221272 ave      221272 max      221272 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221272
Ave neighs/atom = 110.636
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.629724674429, Press = 0.475068223230491
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10422.811     -10422.811     -10509.177     -10509.177      334.24529      334.24529      28041.605      28041.605      1631.2849      1631.2849    
     71000  -10423.7       -10423.7       -10508.478     -10508.478      328.09869      328.09869      27982.006      27982.006      4842.3839      4842.3839    
Loop time of 46.5277 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.857 ns/day, 12.924 hours/ns, 21.493 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.445     | 46.445     | 46.445     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014939   | 0.014939   | 0.014939   |   0.0 |  0.03
Output  | 3.1439e-05 | 3.1439e-05 | 3.1439e-05 |   0.0 |  0.00
Modify  | 0.061976   | 0.061976   | 0.061976   |   0.0 |  0.13
Other   |            | 0.005521   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221596 ave      221596 max      221596 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221596
Ave neighs/atom = 110.798
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.595780838537, Press = 0.445877255924707
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10423.7       -10423.7       -10508.478     -10508.478      328.09869      328.09869      27982.006      27982.006      4842.3839      4842.3839    
     72000  -10420.935     -10420.935     -10509.048     -10509.048      341.0096       341.0096       28024.235      28024.235      2532.9958      2532.9958    
Loop time of 46.6106 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.854 ns/day, 12.947 hours/ns, 21.454 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.528     | 46.528     | 46.528     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015099   | 0.015099   | 0.015099   |   0.0 |  0.03
Output  | 4.0336e-05 | 4.0336e-05 | 4.0336e-05 |   0.0 |  0.00
Modify  | 0.062022   | 0.062022   | 0.062022   |   0.0 |  0.13
Other   |            | 0.005595   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221908 ave      221908 max      221908 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221908
Ave neighs/atom = 110.954
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.607980216537, Press = -0.324210093663536
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10420.935     -10420.935     -10509.048     -10509.048      341.0096       341.0096       28024.235      28024.235      2532.9958      2532.9958    
     73000  -10424.952     -10424.952     -10508.507     -10508.507      323.36888      323.36888      28041.264      28041.264      1587.8482      1587.8482    
Loop time of 46.467 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.859 ns/day, 12.908 hours/ns, 21.521 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.384     | 46.384     | 46.384     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015009   | 0.015009   | 0.015009   |   0.0 |  0.03
Output  | 4.0846e-05 | 4.0846e-05 | 4.0846e-05 |   0.0 |  0.00
Modify  | 0.062095   | 0.062095   | 0.062095   |   0.0 |  0.13
Other   |            | 0.005568   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221756 ave      221756 max      221756 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221756
Ave neighs/atom = 110.878
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.587660387186, Press = -0.31023468743274
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     73000  -10424.952     -10424.952     -10508.507     -10508.507      323.36888      323.36888      28041.264      28041.264      1587.8482      1587.8482    
     74000  -10424.307     -10424.307     -10510.15      -10510.15       332.22287      332.22287      28044.902      28044.902      1333.0185      1333.0185    
Loop time of 46.5119 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.858 ns/day, 12.920 hours/ns, 21.500 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.429     | 46.429     | 46.429     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01499    | 0.01499    | 0.01499    |   0.0 |  0.03
Output  | 3.8692e-05 | 3.8692e-05 | 3.8692e-05 |   0.0 |  0.00
Modify  | 0.062093   | 0.062093   | 0.062093   |   0.0 |  0.13
Other   |            | 0.005575   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221608 ave      221608 max      221608 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221608
Ave neighs/atom = 110.804
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.603431074959, Press = -0.566116164416751
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10424.307     -10424.307     -10510.15      -10510.15       332.22287      332.22287      28044.902      28044.902      1333.0185      1333.0185    
     75000  -10425.092     -10425.092     -10509.17      -10509.17       325.38933      325.38933      28044.449      28044.449      1258.2976      1258.2976    
Loop time of 46.5377 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.857 ns/day, 12.927 hours/ns, 21.488 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.455     | 46.455     | 46.455     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015039   | 0.015039   | 0.015039   |   0.0 |  0.03
Output  | 3.722e-05  | 3.722e-05  | 3.722e-05  |   0.0 |  0.00
Modify  | 0.062061   | 0.062061   | 0.062061   |   0.0 |  0.13
Other   |            | 0.005451   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221770 ave      221770 max      221770 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221770
Ave neighs/atom = 110.885
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.603396156827, Press = -0.933046356927793
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     75000  -10425.092     -10425.092     -10509.17      -10509.17       325.38933      325.38933      28044.449      28044.449      1258.2976      1258.2976    
     76000  -10417.059     -10417.059     -10506.526     -10506.526      346.24654      346.24654      28069.989      28069.989      335.61328      335.61328    
Loop time of 46.6501 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.852 ns/day, 12.958 hours/ns, 21.436 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.568     | 46.568     | 46.568     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015      | 0.015      | 0.015      |   0.0 |  0.03
Output  | 3.2e-05    | 3.2e-05    | 3.2e-05    |   0.0 |  0.00
Modify  | 0.062029   | 0.062029   | 0.062029   |   0.0 |  0.13
Other   |            | 0.005465   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221624 ave      221624 max      221624 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221624
Ave neighs/atom = 110.812
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.645258570964, Press = -1.9368484404635
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10417.059     -10417.059     -10506.526     -10506.526      346.24654      346.24654      28069.989      28069.989      335.61328      335.61328    
     77000  -10422.368     -10422.368     -10507.679     -10507.679      330.16484      330.16484      28088.926      28088.926     -973.57226     -973.57226    
Loop time of 46.6291 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.853 ns/day, 12.953 hours/ns, 21.446 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.547     | 46.547     | 46.547     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014939   | 0.014939   | 0.014939   |   0.0 |  0.03
Output  | 3.9525e-05 | 3.9525e-05 | 3.9525e-05 |   0.0 |  0.00
Modify  | 0.061977   | 0.061977   | 0.061977   |   0.0 |  0.13
Other   |            | 0.005485   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221482 ave      221482 max      221482 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221482
Ave neighs/atom = 110.741
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.668411986224, Press = -1.16672617092648
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10422.368     -10422.368     -10507.679     -10507.679      330.16484      330.16484      28088.926      28088.926     -973.57226     -973.57226    
     78000  -10427.485     -10427.485     -10511.62      -10511.62       325.6094       325.6094       28089.777      28089.777     -1492.0738     -1492.0738    
Loop time of 46.5791 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.855 ns/day, 12.939 hours/ns, 21.469 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    | 46.497     | 46.497     | 46.497     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014981   | 0.014981   | 0.014981   |   0.0 |  0.03
Output  | 3.5927e-05 | 3.5927e-05 | 3.5927e-05 |   0.0 |  0.00
Modify  | 0.061994   | 0.061994   | 0.061994   |   0.0 |  0.13
Other   |            | 0.005417   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221316 ave      221316 max      221316 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221316
Ave neighs/atom = 110.658
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.663693759698, Press = -0.636319091288441
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     78000  -10427.485     -10427.485     -10511.62      -10511.62       325.6094       325.6094       28089.777      28089.777     -1492.0738     -1492.0738    
     79000  -10422.301     -10422.301     -10508.319     -10508.319      332.89884      332.89884      28108.679      28108.679     -1911.7688     -1911.7688    
Loop time of 46.5647 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.855 ns/day, 12.935 hours/ns, 21.476 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.482     | 46.482     | 46.482     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014938   | 0.014938   | 0.014938   |   0.0 |  0.03
Output  | 3.6319e-05 | 3.6319e-05 | 3.6319e-05 |   0.0 |  0.00
Modify  | 0.061957   | 0.061957   | 0.061957   |   0.0 |  0.13
Other   |            | 0.005488   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221528 ave      221528 max      221528 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221528
Ave neighs/atom = 110.764
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.650016278326, Press = -0.32868132791448
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10422.301     -10422.301     -10508.319     -10508.319      332.89884      332.89884      28108.679      28108.679     -1911.7688     -1911.7688    
     80000  -10427.102     -10427.102     -10511.808     -10511.808      327.82108      327.82108      28104.936      28104.936     -2135.217      -2135.217     
Loop time of 46.6155 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.853 ns/day, 12.949 hours/ns, 21.452 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.533     | 46.533     | 46.533     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014967   | 0.014967   | 0.014967   |   0.0 |  0.03
Output  | 3.0888e-05 | 3.0888e-05 | 3.0888e-05 |   0.0 |  0.00
Modify  | 0.062032   | 0.062032   | 0.062032   |   0.0 |  0.13
Other   |            | 0.005449   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221504 ave      221504 max      221504 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221504
Ave neighs/atom = 110.752
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.616707848388, Press = -0.0323988008403276
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     80000  -10427.102     -10427.102     -10511.808     -10511.808      327.82108      327.82108      28104.936      28104.936     -2135.217      -2135.217     
     81000  -10421.423     -10421.423     -10509.544     -10509.544      341.03667      341.03667      28111.039      28111.039     -2078.1428     -2078.1428    
Loop time of 46.5963 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.854 ns/day, 12.943 hours/ns, 21.461 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.514     | 46.514     | 46.514     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014924   | 0.014924   | 0.014924   |   0.0 |  0.03
Output  | 3.9595e-05 | 3.9595e-05 | 3.9595e-05 |   0.0 |  0.00
Modify  | 0.061912   | 0.061912   | 0.061912   |   0.0 |  0.13
Other   |            | 0.005471   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221552 ave      221552 max      221552 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221552
Ave neighs/atom = 110.776
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.611132898317, Press = 0.386094982788752
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10421.423     -10421.423     -10509.544     -10509.544      341.03667      341.03667      28111.039      28111.039     -2078.1428     -2078.1428    
     82000  -10426.628     -10426.628     -10509.501     -10509.501      320.72801      320.72801      28090.122      28090.122     -1174.3223     -1174.3223    
Loop time of 46.735 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.849 ns/day, 12.982 hours/ns, 21.397 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.652     | 46.652     | 46.652     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014978   | 0.014978   | 0.014978   |   0.0 |  0.03
Output  | 3.6448e-05 | 3.6448e-05 | 3.6448e-05 |   0.0 |  0.00
Modify  | 0.062163   | 0.062163   | 0.062163   |   0.0 |  0.13
Other   |            | 0.005543   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221444 ave      221444 max      221444 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221444
Ave neighs/atom = 110.722
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.595576104206, Press = 0.913013029308541
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10426.628     -10426.628     -10509.501     -10509.501      320.72801      320.72801      28090.122      28090.122     -1174.3223     -1174.3223    
     83000  -10421.11      -10421.11      -10507.613     -10507.613      334.77283      334.77283      28070.126      28070.126      271.39061      271.39061    
Loop time of 46.77 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.847 ns/day, 12.992 hours/ns, 21.381 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.687     | 46.687     | 46.687     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015056   | 0.015056   | 0.015056   |   0.0 |  0.03
Output  | 3.719e-05  | 3.719e-05  | 3.719e-05  |   0.0 |  0.00
Modify  | 0.062031   | 0.062031   | 0.062031   |   0.0 |  0.13
Other   |            | 0.005421   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221448 ave      221448 max      221448 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221448
Ave neighs/atom = 110.724
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.602175809965, Press = 1.01908894596152
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10421.11      -10421.11      -10507.613     -10507.613      334.77283      334.77283      28070.126      28070.126      271.39061      271.39061    
     84000  -10423.02      -10423.02      -10510.448     -10510.448      338.35448      338.35448      28057.972      28057.972      613.25601      613.25601    
Loop time of 46.7656 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.848 ns/day, 12.990 hours/ns, 21.383 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    | 46.683     | 46.683     | 46.683     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015041   | 0.015041   | 0.015041   |   0.0 |  0.03
Output  | 3.5246e-05 | 3.5246e-05 | 3.5246e-05 |   0.0 |  0.00
Modify  | 0.061997   | 0.061997   | 0.061997   |   0.0 |  0.13
Other   |            | 0.005458   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221482 ave      221482 max      221482 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221482
Ave neighs/atom = 110.741
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.606238732606, Press = 0.330122098102961
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10423.02      -10423.02      -10510.448     -10510.448      338.35448      338.35448      28057.972      28057.972      613.25601      613.25601    
     85000  -10421.498     -10421.498     -10507.388     -10507.388      332.40174      332.40174      28052.3        28052.3        1076.3536      1076.3536    
Loop time of 46.6358 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.853 ns/day, 12.954 hours/ns, 21.443 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.553     | 46.553     | 46.553     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01505    | 0.01505    | 0.01505    |   0.0 |  0.03
Output  | 3.175e-05  | 3.175e-05  | 3.175e-05  |   0.0 |  0.00
Modify  | 0.062019   | 0.062019   | 0.062019   |   0.0 |  0.13
Other   |            | 0.005433   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221704 ave      221704 max      221704 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221704
Ave neighs/atom = 110.852
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.601730081868, Press = 0.139066071944377
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10421.498     -10421.498     -10507.388     -10507.388      332.40174      332.40174      28052.3        28052.3        1076.3536      1076.3536    
     86000  -10421.965     -10421.965     -10508.418     -10508.418      334.58202      334.58202      28056.297      28056.297      804.44577      804.44577    
Loop time of 46.6768 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.851 ns/day, 12.966 hours/ns, 21.424 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.594     | 46.594     | 46.594     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015001   | 0.015001   | 0.015001   |   0.0 |  0.03
Output  | 3.9143e-05 | 3.9143e-05 | 3.9143e-05 |   0.0 |  0.00
Modify  | 0.061861   | 0.061861   | 0.061861   |   0.0 |  0.13
Other   |            | 0.005449   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221528 ave      221528 max      221528 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221528
Ave neighs/atom = 110.764
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.650655425065, Press = -0.132774587909138
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10421.965     -10421.965     -10508.418     -10508.418      334.58202      334.58202      28056.297      28056.297      804.44577      804.44577    
     87000  -10422.813     -10422.813     -10509.51      -10509.51       335.52596      335.52596      28054.185      28054.185      931.20773      931.20773    
Loop time of 46.6329 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.853 ns/day, 12.954 hours/ns, 21.444 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.55      | 46.55      | 46.55      |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015019   | 0.015019   | 0.015019   |   0.0 |  0.03
Output  | 3.8592e-05 | 3.8592e-05 | 3.8592e-05 |   0.0 |  0.00
Modify  | 0.062108   | 0.062108   | 0.062108   |   0.0 |  0.13
Other   |            | 0.00553    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221580 ave      221580 max      221580 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221580
Ave neighs/atom = 110.79
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.675075706281, Press = -0.544446228303646
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10422.813     -10422.813     -10509.51      -10509.51       335.52596      335.52596      28054.185      28054.185      931.20773      931.20773    
     88000  -10423.87      -10423.87      -10510.676     -10510.676      335.94523      335.94523      28062.553      28062.553      315.45567      315.45567    
Loop time of 46.6767 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.851 ns/day, 12.966 hours/ns, 21.424 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.594     | 46.594     | 46.594     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014984   | 0.014984   | 0.014984   |   0.0 |  0.03
Output  | 3.5266e-05 | 3.5266e-05 | 3.5266e-05 |   0.0 |  0.00
Modify  | 0.062028   | 0.062028   | 0.062028   |   0.0 |  0.13
Other   |            | 0.00548    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221718 ave      221718 max      221718 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221718
Ave neighs/atom = 110.859
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.713678533424, Press = -1.2755877289513
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10423.87      -10423.87      -10510.676     -10510.676      335.94523      335.94523      28062.553      28062.553      315.45567      315.45567    
     89000  -10423.486     -10423.486     -10510.583     -10510.583      337.07298      337.07298      28088.461      28088.461     -1021.648      -1021.648     
Loop time of 46.7107 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.850 ns/day, 12.975 hours/ns, 21.408 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.628     | 46.628     | 46.628     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01514    | 0.01514    | 0.01514    |   0.0 |  0.03
Output  | 3.0056e-05 | 3.0056e-05 | 3.0056e-05 |   0.0 |  0.00
Modify  | 0.061883   | 0.061883   | 0.061883   |   0.0 |  0.13
Other   |            | 0.005481   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221612 ave      221612 max      221612 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221612
Ave neighs/atom = 110.806
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.742100613846, Press = -0.900879822372106
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10423.486     -10423.486     -10510.583     -10510.583      337.07298      337.07298      28088.461      28088.461     -1021.648      -1021.648     
     90000  -10419.753     -10419.753     -10506.266     -10506.266      334.8146       334.8146       28097.625      28097.625     -1195.1821     -1195.1821    
Loop time of 46.6229 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.853 ns/day, 12.951 hours/ns, 21.449 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.54      | 46.54      | 46.54      |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015048   | 0.015048   | 0.015048   |   0.0 |  0.03
Output  | 9.8657e-05 | 9.8657e-05 | 9.8657e-05 |   0.0 |  0.00
Modify  | 0.061852   | 0.061852   | 0.061852   |   0.0 |  0.13
Other   |            | 0.005443   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221580 ave      221580 max      221580 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221580
Ave neighs/atom = 110.79
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.780058253351, Press = -0.504611503057788
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10419.753     -10419.753     -10506.266     -10506.266      334.8146       334.8146       28097.625      28097.625     -1195.1821     -1195.1821    
     91000  -10421.074     -10421.074     -10507.835     -10507.835      335.77499      335.77499      28095.243      28095.243     -1089.3948     -1089.3948    
Loop time of 46.6108 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.854 ns/day, 12.947 hours/ns, 21.454 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.528     | 46.528     | 46.528     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01521    | 0.01521    | 0.01521    |   0.0 |  0.03
Output  | 3.6799e-05 | 3.6799e-05 | 3.6799e-05 |   0.0 |  0.00
Modify  | 0.061931   | 0.061931   | 0.061931   |   0.0 |  0.13
Other   |            | 0.005532   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221360 ave      221360 max      221360 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221360
Ave neighs/atom = 110.68
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.789189798669, Press = -0.167900835527608
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10421.074     -10421.074     -10507.835     -10507.835      335.77499      335.77499      28095.243      28095.243     -1089.3948     -1089.3948    
     92000  -10421.508     -10421.508     -10508.076     -10508.076      335.02574      335.02574      28088.927      28088.927     -732.03298     -732.03298    
Loop time of 46.6244 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.853 ns/day, 12.951 hours/ns, 21.448 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.542     | 46.542     | 46.542     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014955   | 0.014955   | 0.014955   |   0.0 |  0.03
Output  | 3.6849e-05 | 3.6849e-05 | 3.6849e-05 |   0.0 |  0.00
Modify  | 0.061994   | 0.061994   | 0.061994   |   0.0 |  0.13
Other   |            | 0.00545    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221484 ave      221484 max      221484 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221484
Ave neighs/atom = 110.742
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.779384850954, Press = -0.137861545067763
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10421.508     -10421.508     -10508.076     -10508.076      335.02574      335.02574      28088.927      28088.927     -732.03298     -732.03298    
     93000  -10425.973     -10425.973     -10510.556     -10510.556      327.34639      327.34639      28113.359      28113.359     -2597.0891     -2597.0891    
Loop time of 46.6296 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.853 ns/day, 12.953 hours/ns, 21.446 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.547     | 46.547     | 46.547     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01511    | 0.01511    | 0.01511    |   0.0 |  0.03
Output  | 3.4515e-05 | 3.4515e-05 | 3.4515e-05 |   0.0 |  0.00
Modify  | 0.062109   | 0.062109   | 0.062109   |   0.0 |  0.13
Other   |            | 0.005553   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221454 ave      221454 max      221454 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221454
Ave neighs/atom = 110.727
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 = 332.761337169353, Press = -0.119589233705937
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10425.973     -10425.973     -10510.556     -10510.556      327.34639      327.34639      28113.359      28113.359     -2597.0891     -2597.0891    
     94000  -10420.955     -10420.955     -10507.582     -10507.582      335.25291      335.25291      28133.469      28133.469     -3384.2025     -3384.2025    
Loop time of 46.6244 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.853 ns/day, 12.951 hours/ns, 21.448 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.542     | 46.542     | 46.542     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015009   | 0.015009   | 0.015009   |   0.0 |  0.03
Output  | 3.0618e-05 | 3.0618e-05 | 3.0618e-05 |   0.0 |  0.00
Modify  | 0.061918   | 0.061918   | 0.061918   |   0.0 |  0.13
Other   |            | 0.005519   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221362 ave      221362 max      221362 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221362
Ave neighs/atom = 110.681
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 = 332.761387255139, Press = 0.299253568148536
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10420.955     -10420.955     -10507.582     -10507.582      335.25291      335.25291      28133.469      28133.469     -3384.2025     -3384.2025    
     95000  -10423.898     -10423.898     -10507.073     -10507.073      321.89632      321.89632      28094.08       28094.08      -1249.3194     -1249.3194    
Loop time of 46.7135 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.850 ns/day, 12.976 hours/ns, 21.407 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.631     | 46.631     | 46.631     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015035   | 0.015035   | 0.015035   |   0.0 |  0.03
Output  | 3.8833e-05 | 3.8833e-05 | 3.8833e-05 |   0.0 |  0.00
Modify  | 0.062061   | 0.062061   | 0.062061   |   0.0 |  0.13
Other   |            | 0.005507   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221154 ave      221154 max      221154 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221154
Ave neighs/atom = 110.577
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.764200615409, Press = 0.469584760093435
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10423.898     -10423.898     -10507.073     -10507.073      321.89632      321.89632      28094.08       28094.08      -1249.3194     -1249.3194    
     96000  -10421.558     -10421.558     -10509.302     -10509.302      339.57686      339.57686      28075.977      28075.977     -502.92639     -502.92639    
Loop time of 46.759 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.848 ns/day, 12.989 hours/ns, 21.386 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.677     | 46.677     | 46.677     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015062   | 0.015062   | 0.015062   |   0.0 |  0.03
Output  | 3.6138e-05 | 3.6138e-05 | 3.6138e-05 |   0.0 |  0.00
Modify  | 0.061971   | 0.061971   | 0.061971   |   0.0 |  0.13
Other   |            | 0.005429   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221192 ave      221192 max      221192 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221192
Ave neighs/atom = 110.596
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.763203394077, Press = 0.361830722982363
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10421.558     -10421.558     -10509.302     -10509.302      339.57686      339.57686      28075.977      28075.977     -502.92639     -502.92639    
     97000  -10426.206     -10426.206     -10509.603     -10509.603      322.75367      322.75367      28058.176      28058.176      609.26538      609.26538    
Loop time of 46.7459 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.848 ns/day, 12.985 hours/ns, 21.392 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.663     | 46.663     | 46.663     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014924   | 0.014924   | 0.014924   |   0.0 |  0.03
Output  | 3.8162e-05 | 3.8162e-05 | 3.8162e-05 |   0.0 |  0.00
Modify  | 0.061951   | 0.061951   | 0.061951   |   0.0 |  0.13
Other   |            | 0.005528   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221478 ave      221478 max      221478 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221478
Ave neighs/atom = 110.739
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 = 332.763807026192, Press = 0.414475300960339
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10426.206     -10426.206     -10509.603     -10509.603      322.75367      322.75367      28058.176      28058.176      609.26538      609.26538    
     98000  -10424.592     -10424.592     -10511.056     -10511.056      334.62449      334.62449      28043.751      28043.751      1235.1259      1235.1259    
Loop time of 46.6435 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.852 ns/day, 12.957 hours/ns, 21.439 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.561     | 46.561     | 46.561     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015009   | 0.015009   | 0.015009   |   0.0 |  0.03
Output  | 3.165e-05  | 3.165e-05  | 3.165e-05  |   0.0 |  0.00
Modify  | 0.06205    | 0.06205    | 0.06205    |   0.0 |  0.13
Other   |            | 0.005451   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221366 ave      221366 max      221366 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221366
Ave neighs/atom = 110.683
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 = 332.769340174902, Press = 0.399636255100085
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10424.592     -10424.592     -10511.056     -10511.056      334.62449      334.62449      28043.751      28043.751      1235.1259      1235.1259    
     99000  -10421.601     -10421.601     -10510.59      -10510.59       344.39675      344.39675      28032.812      28032.812      1959.9731      1959.9731    
Loop time of 46.6699 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.851 ns/day, 12.964 hours/ns, 21.427 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    | 46.587     | 46.587     | 46.587     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015021   | 0.015021   | 0.015021   |   0.0 |  0.03
Output  | 3.8512e-05 | 3.8512e-05 | 3.8512e-05 |   0.0 |  0.00
Modify  | 0.062032   | 0.062032   | 0.062032   |   0.0 |  0.13
Other   |            | 0.005471   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221668 ave      221668 max      221668 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221668
Ave neighs/atom = 110.834
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.751747430212, Press = 0.315364019371198
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10421.601     -10421.601     -10510.59      -10510.59       344.39675      344.39675      28032.812      28032.812      1959.9731      1959.9731    
    100000  -10423.594     -10423.594     -10509.809     -10509.809      333.66323      333.66323      27950.868      27950.868      6477.683       6477.683     
Loop time of 46.6787 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.851 ns/day, 12.966 hours/ns, 21.423 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.596     | 46.596     | 46.596     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014978   | 0.014978   | 0.014978   |   0.0 |  0.03
Output  | 3.729e-05  | 3.729e-05  | 3.729e-05  |   0.0 |  0.00
Modify  | 0.061937   | 0.061937   | 0.061937   |   0.0 |  0.13
Other   |            | 0.005514   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221666 ave      221666 max      221666 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221666
Ave neighs/atom = 110.833
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.760667266863, Press = 0.253457798418313
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10423.594     -10423.594     -10509.809     -10509.809      333.66323      333.66323      27950.868      27950.868      6477.683       6477.683     
    101000  -10420.475     -10420.475     -10506.578     -10506.578      333.22922      333.22922      28028.492      28028.492      2404.64        2404.64      
Loop time of 46.6587 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.852 ns/day, 12.961 hours/ns, 21.432 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.576     | 46.576     | 46.576     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014934   | 0.014934   | 0.014934   |   0.0 |  0.03
Output  | 3.7189e-05 | 3.7189e-05 | 3.7189e-05 |   0.0 |  0.00
Modify  | 0.061879   | 0.061879   | 0.061879   |   0.0 |  0.13
Other   |            | 0.005458   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221940 ave      221940 max      221940 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221940
Ave neighs/atom = 110.97
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.782266271729, Press = -0.227226730654673
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10420.475     -10420.475     -10506.578     -10506.578      333.22922      333.22922      28028.492      28028.492      2404.64        2404.64      
    102000  -10423.994     -10423.994     -10511.071     -10511.071      336.99865      336.99865      28047.947      28047.947      1028.1898      1028.1898    
Loop time of 46.7261 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.849 ns/day, 12.979 hours/ns, 21.401 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    | 46.644     | 46.644     | 46.644     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01496    | 0.01496    | 0.01496    |   0.0 |  0.03
Output  | 3.4585e-05 | 3.4585e-05 | 3.4585e-05 |   0.0 |  0.00
Modify  | 0.061928   | 0.061928   | 0.061928   |   0.0 |  0.13
Other   |            | 0.005409   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221480 ave      221480 max      221480 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221480
Ave neighs/atom = 110.74
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.788853093892, Press = -0.271909363412994
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10423.994     -10423.994     -10511.071     -10511.071      336.99865      336.99865      28047.947      28047.947      1028.1898      1028.1898    
    103000  -10420.583     -10420.583     -10505.183     -10505.183      327.4103       327.4103       28061.465      28061.465      810.65105      810.65105    
Loop time of 46.6727 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.851 ns/day, 12.965 hours/ns, 21.426 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.59      | 46.59      | 46.59      |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015025   | 0.015025   | 0.015025   |   0.0 |  0.03
Output  | 3.1339e-05 | 3.1339e-05 | 3.1339e-05 |   0.0 |  0.00
Modify  | 0.062077   | 0.062077   | 0.062077   |   0.0 |  0.13
Other   |            | 0.005499   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221668 ave      221668 max      221668 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221668
Ave neighs/atom = 110.834
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.803625846723, Press = -0.239338438970352
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10420.583     -10420.583     -10505.183     -10505.183      327.4103       327.4103       28061.465      28061.465      810.65105      810.65105    
    104000  -10420.684     -10420.684     -10507.886     -10507.886      337.48154      337.48154      28080.102      28080.102     -298.74836     -298.74836    
Loop time of 46.6499 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.852 ns/day, 12.958 hours/ns, 21.436 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.567     | 46.567     | 46.567     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015015   | 0.015015   | 0.015015   |   0.0 |  0.03
Output  | 3.9173e-05 | 3.9173e-05 | 3.9173e-05 |   0.0 |  0.00
Modify  | 0.062055   | 0.062055   | 0.062055   |   0.0 |  0.13
Other   |            | 0.00549    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221178 ave      221178 max      221178 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221178
Ave neighs/atom = 110.589
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.803236359022, Press = -0.282388606528407
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10420.684     -10420.684     -10507.886     -10507.886      337.48154      337.48154      28080.102      28080.102     -298.74836     -298.74836    
    105000  -10421.25      -10421.25      -10507.034     -10507.034      331.99477      331.99477      28109.345      28109.345     -1856.4707     -1856.4707    
Loop time of 46.7301 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.849 ns/day, 12.981 hours/ns, 21.399 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    | 46.647     | 46.647     | 46.647     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015037   | 0.015037   | 0.015037   |   0.0 |  0.03
Output  | 3.6639e-05 | 3.6639e-05 | 3.6639e-05 |   0.0 |  0.00
Modify  | 0.062122   | 0.062122   | 0.062122   |   0.0 |  0.13
Other   |            | 0.005436   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221400 ave      221400 max      221400 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221400
Ave neighs/atom = 110.7
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 = 332.806429208003, Press = -0.583252449556795
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10421.25      -10421.25      -10507.034     -10507.034      331.99477      331.99477      28109.345      28109.345     -1856.4707     -1856.4707    
    106000  -10424.597     -10424.597     -10508.862     -10508.862      326.11414      326.11414      28123.513      28123.513     -2804.0812     -2804.0812    
Loop time of 46.7024 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.850 ns/day, 12.973 hours/ns, 21.412 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    | 46.62      | 46.62      | 46.62      |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01503    | 0.01503    | 0.01503    |   0.0 |  0.03
Output  | 3.765e-05  | 3.765e-05  | 3.765e-05  |   0.0 |  0.00
Modify  | 0.061891   | 0.061891   | 0.061891   |   0.0 |  0.13
Other   |            | 0.005412   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221234 ave      221234 max      221234 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221234
Ave neighs/atom = 110.617
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.792169694492, Press = -0.385863857803904
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10424.597     -10424.597     -10508.862     -10508.862      326.11414      326.11414      28123.513      28123.513     -2804.0812     -2804.0812    
    107000  -10422.546     -10422.546     -10508.927     -10508.927      334.3004       334.3004       28111.87       28111.87      -2205.3198     -2205.3198    
Loop time of 46.7294 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.849 ns/day, 12.980 hours/ns, 21.400 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    | 46.647     | 46.647     | 46.647     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014984   | 0.014984   | 0.014984   |   0.0 |  0.03
Output  | 3.15e-05   | 3.15e-05   | 3.15e-05   |   0.0 |  0.00
Modify  | 0.062018   | 0.062018   | 0.062018   |   0.0 |  0.13
Other   |            | 0.005409   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221262 ave      221262 max      221262 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221262
Ave neighs/atom = 110.631
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.802158780281, Press = 0.0366502075970626
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10422.546     -10422.546     -10508.927     -10508.927      334.3004       334.3004       28111.87       28111.87      -2205.3198     -2205.3198    
    108000  -10422.352     -10422.352     -10509.564     -10509.564      337.52037      337.52037      28095.063      28095.063     -1263.4474     -1263.4474    
Loop time of 46.8651 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.844 ns/day, 13.018 hours/ns, 21.338 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    | 46.782     | 46.782     | 46.782     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015059   | 0.015059   | 0.015059   |   0.0 |  0.03
Output  | 3.685e-05  | 3.685e-05  | 3.685e-05  |   0.0 |  0.00
Modify  | 0.062533   | 0.062533   | 0.062533   |   0.0 |  0.13
Other   |            | 0.005547   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221332 ave      221332 max      221332 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221332
Ave neighs/atom = 110.666
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 = 332.782246953944, Press = 0.217327078973481
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10422.352     -10422.352     -10509.564     -10509.564      337.52037      337.52037      28095.063      28095.063     -1263.4474     -1263.4474    
    109000  -10423.138     -10423.138     -10508.236     -10508.236      329.33791      329.33791      28078.467      28078.467     -409.13629     -409.13629    
Loop time of 47.2665 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.828 ns/day, 13.130 hours/ns, 21.157 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 47.183     | 47.183     | 47.183     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01509    | 0.01509    | 0.01509    |   0.0 |  0.03
Output  | 3.7431e-05 | 3.7431e-05 | 3.7431e-05 |   0.0 |  0.00
Modify  | 0.062604   | 0.062604   | 0.062604   |   0.0 |  0.13
Other   |            | 0.005506   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221532 ave      221532 max      221532 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221532
Ave neighs/atom = 110.766
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.78410386826, Press = 0.431374109247905
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10423.138     -10423.138     -10508.236     -10508.236      329.33791      329.33791      28078.467      28078.467     -409.13629     -409.13629    
    110000  -10422.458     -10422.458     -10507.483     -10507.483      329.05452      329.05452      28064.745      28064.745      169.31269      169.31269    
Loop time of 47.0821 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.835 ns/day, 13.078 hours/ns, 21.239 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    | 46.999     | 46.999     | 46.999     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015112   | 0.015112   | 0.015112   |   0.0 |  0.03
Output  | 3.5687e-05 | 3.5687e-05 | 3.5687e-05 |   0.0 |  0.00
Modify  | 0.062492   | 0.062492   | 0.062492   |   0.0 |  0.13
Other   |            | 0.00548    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221422 ave      221422 max      221422 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221422
Ave neighs/atom = 110.711
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.804028038819, Press = 1.14903027685266
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10422.458     -10422.458     -10507.483     -10507.483      329.05452      329.05452      28064.745      28064.745      169.31269      169.31269    
    111000  -10421.066     -10421.066     -10507.682     -10507.682      335.21354      335.21354      28036.738      28036.738      1969.6545      1969.6545    
Loop time of 47.3449 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.825 ns/day, 13.151 hours/ns, 21.122 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    | 47.261     | 47.261     | 47.261     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01532    | 0.01532    | 0.01532    |   0.0 |  0.03
Output  | 3.5667e-05 | 3.5667e-05 | 3.5667e-05 |   0.0 |  0.00
Modify  | 0.062625   | 0.062625   | 0.062625   |   0.0 |  0.13
Other   |            | 0.00548    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221452 ave      221452 max      221452 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221452
Ave neighs/atom = 110.726
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.832643662769, Press = 1.01788231745479
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10421.066     -10421.066     -10507.682     -10507.682      335.21354      335.21354      28036.738      28036.738      1969.6545      1969.6545    
    112000  -10424.049     -10424.049     -10510.575     -10510.575      334.86233      334.86233      28044.991      28044.991      1174.2524      1174.2524    
Loop time of 47.1867 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.831 ns/day, 13.107 hours/ns, 21.192 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    | 47.103     | 47.103     | 47.103     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0152     | 0.0152     | 0.0152     |   0.0 |  0.03
Output  | 3.0938e-05 | 3.0938e-05 | 3.0938e-05 |   0.0 |  0.00
Modify  | 0.062766   | 0.062766   | 0.062766   |   0.0 |  0.13
Other   |            | 0.005531   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221534 ave      221534 max      221534 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221534
Ave neighs/atom = 110.767
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.828502611921, Press = 0.414727023989907
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10424.049     -10424.049     -10510.575     -10510.575      334.86233      334.86233      28044.991      28044.991      1174.2524      1174.2524    
    113000  -10419.625     -10419.625     -10507.608     -10507.608      340.50406      340.50406      28057.517      28057.517      843.94255      843.94255    
Loop time of 47.0073 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.838 ns/day, 13.058 hours/ns, 21.273 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    | 46.924     | 46.924     | 46.924     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015074   | 0.015074   | 0.015074   |   0.0 |  0.03
Output  | 3.8262e-05 | 3.8262e-05 | 3.8262e-05 |   0.0 |  0.00
Modify  | 0.062339   | 0.062339   | 0.062339   |   0.0 |  0.13
Other   |            | 0.00557    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221710 ave      221710 max      221710 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221710
Ave neighs/atom = 110.855
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.851635744658, Press = 0.277752966160714
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10419.625     -10419.625     -10507.608     -10507.608      340.50406      340.50406      28057.517      28057.517      843.94255      843.94255    
    114000  -10423.337     -10423.337     -10509.814     -10509.814      334.67302      334.67302      28044.978      28044.978      1271.9616      1271.9616    
Loop time of 47.0493 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.836 ns/day, 13.069 hours/ns, 21.254 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    | 46.966     | 46.966     | 46.966     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015149   | 0.015149   | 0.015149   |   0.0 |  0.03
Output  | 3.6289e-05 | 3.6289e-05 | 3.6289e-05 |   0.0 |  0.00
Modify  | 0.062446   | 0.062446   | 0.062446   |   0.0 |  0.13
Other   |            | 0.005461   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221502 ave      221502 max      221502 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221502
Ave neighs/atom = 110.751
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.882073339689, Press = 0.0964731094228946
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10423.337     -10423.337     -10509.814     -10509.814      334.67302      334.67302      28044.978      28044.978      1271.9616      1271.9616    
    115000  -10418.342     -10418.342     -10508.371     -10508.371      348.4202       348.4202       28023.664      28023.664      2733.0552      2733.0552    
Loop time of 47.0778 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.835 ns/day, 13.077 hours/ns, 21.241 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    | 46.995     | 46.995     | 46.995     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01515    | 0.01515    | 0.01515    |   0.0 |  0.03
Output  | 3.6789e-05 | 3.6789e-05 | 3.6789e-05 |   0.0 |  0.00
Modify  | 0.062477   | 0.062477   | 0.062477   |   0.0 |  0.13
Other   |            | 0.005472   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221764 ave      221764 max      221764 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221764
Ave neighs/atom = 110.882
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.893493318177, Press = 0.016986316365319
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10418.342     -10418.342     -10508.371     -10508.371      348.4202       348.4202       28023.664      28023.664      2733.0552      2733.0552    
    116000  -10422.94      -10422.94      -10508.891     -10508.891      332.63721      332.63721      28013.456      28013.456      3158.5632      3158.5632    
Loop time of 46.9444 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.840 ns/day, 13.040 hours/ns, 21.302 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    | 46.861     | 46.861     | 46.861     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015099   | 0.015099   | 0.015099   |   0.0 |  0.03
Output  | 3.3523e-05 | 3.3523e-05 | 3.3523e-05 |   0.0 |  0.00
Modify  | 0.062524   | 0.062524   | 0.062524   |   0.0 |  0.13
Other   |            | 0.005559   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221714 ave      221714 max      221714 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221714
Ave neighs/atom = 110.857
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.922657516633, Press = -0.367008742929688
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10422.94      -10422.94      -10508.891     -10508.891      332.63721      332.63721      28013.456      28013.456      3158.5632      3158.5632    
    117000  -10422.523     -10422.523     -10507.7       -10507.7        329.64347      329.64347      28045.196      28045.196      1344.2983      1344.2983    
Loop time of 47.0139 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.838 ns/day, 13.059 hours/ns, 21.270 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    | 46.931     | 46.931     | 46.931     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015215   | 0.015215   | 0.015215   |   0.0 |  0.03
Output  | 3.0798e-05 | 3.0798e-05 | 3.0798e-05 |   0.0 |  0.00
Modify  | 0.062655   | 0.062655   | 0.062655   |   0.0 |  0.13
Other   |            | 0.005528   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221736 ave      221736 max      221736 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221736
Ave neighs/atom = 110.868
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.92077439101, Press = -0.342756275085121
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10422.523     -10422.523     -10507.7       -10507.7        329.64347      329.64347      28045.196      28045.196      1344.2983      1344.2983    
    118000  -10425.175     -10425.175     -10508.833     -10508.833      323.76434      323.76434      28058.405      28058.405      565.71486      565.71486    
Loop time of 46.9501 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.840 ns/day, 13.042 hours/ns, 21.299 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    | 46.867     | 46.867     | 46.867     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015237   | 0.015237   | 0.015237   |   0.0 |  0.03
Output  | 4.1498e-05 | 4.1498e-05 | 4.1498e-05 |   0.0 |  0.00
Modify  | 0.062625   | 0.062625   | 0.062625   |   0.0 |  0.13
Other   |            | 0.005522   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221478 ave      221478 max      221478 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221478
Ave neighs/atom = 110.739
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 = 332.915329880765, Press = -0.388236319213959
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10425.175     -10425.175     -10508.833     -10508.833      323.76434      323.76434      28058.405      28058.405      565.71486      565.71486    
    119000  -10420.57      -10420.57      -10508.404     -10508.404      339.92644      339.92644      28083.111      28083.111     -488.88259     -488.88259    
Loop time of 46.8139 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.846 ns/day, 13.004 hours/ns, 21.361 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    | 46.731     | 46.731     | 46.731     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015114   | 0.015114   | 0.015114   |   0.0 |  0.03
Output  | 3.5517e-05 | 3.5517e-05 | 3.5517e-05 |   0.0 |  0.00
Modify  | 0.062217   | 0.062217   | 0.062217   |   0.0 |  0.13
Other   |            | 0.005455   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221576 ave      221576 max      221576 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221576
Ave neighs/atom = 110.788
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.907049740066, Press = -0.307311077509214
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10420.57      -10420.57      -10508.404     -10508.404      339.92644      339.92644      28083.111      28083.111     -488.88259     -488.88259    
    120000  -10424.509     -10424.509     -10508.8       -10508.8        326.21576      326.21576      28097.707      28097.707     -1588.6612     -1588.6612    
Loop time of 46.764 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.848 ns/day, 12.990 hours/ns, 21.384 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    | 46.681     | 46.681     | 46.681     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01507    | 0.01507    | 0.01507    |   0.0 |  0.03
Output  | 3.6168e-05 | 3.6168e-05 | 3.6168e-05 |   0.0 |  0.00
Modify  | 0.062153   | 0.062153   | 0.062153   |   0.0 |  0.13
Other   |            | 0.0055     |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221468 ave      221468 max      221468 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221468
Ave neighs/atom = 110.734
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.904758014291, Press = -0.25896882432041
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10424.509     -10424.509     -10508.8       -10508.8        326.21576      326.21576      28097.707      28097.707     -1588.6612     -1588.6612    
    121000  -10426.306     -10426.306     -10510.51      -10510.51       325.87775      325.87775      28135.93       28135.93      -3983.1866     -3983.1866    
Loop time of 46.7509 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.848 ns/day, 12.986 hours/ns, 21.390 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    | 46.668     | 46.668     | 46.668     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015027   | 0.015027   | 0.015027   |   0.0 |  0.03
Output  | 3.1009e-05 | 3.1009e-05 | 3.1009e-05 |   0.0 |  0.00
Modify  | 0.062134   | 0.062134   | 0.062134   |   0.0 |  0.13
Other   |            | 0.005439   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221436 ave      221436 max      221436 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221436
Ave neighs/atom = 110.718
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.90697738708, Press = -0.271702521625118
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    121000  -10426.306     -10426.306     -10510.51      -10510.51       325.87775      325.87775      28135.93       28135.93      -3983.1866     -3983.1866    
    122000  -10424.19      -10424.19      -10510.213     -10510.213      332.92001      332.92001      28151.275      28151.275     -4479.6702     -4479.6702    
Loop time of 46.8513 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.844 ns/day, 13.014 hours/ns, 21.344 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    | 46.768     | 46.768     | 46.768     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015117   | 0.015117   | 0.015117   |   0.0 |  0.03
Output  | 3.9875e-05 | 3.9875e-05 | 3.9875e-05 |   0.0 |  0.00
Modify  | 0.062234   | 0.062234   | 0.062234   |   0.0 |  0.13
Other   |            | 0.005468   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221346 ave      221346 max      221346 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221346
Ave neighs/atom = 110.673
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.904074714016, Press = 0.276332488512804
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10424.19      -10424.19      -10510.213     -10510.213      332.92001      332.92001      28151.275      28151.275     -4479.6702     -4479.6702    
    123000  -10418.617     -10418.617     -10506.282     -10506.282      339.27426      339.27426      28102.319      28102.319     -1218.6048     -1218.6048    
Loop time of 46.7686 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.847 ns/day, 12.991 hours/ns, 21.382 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    | 46.686     | 46.686     | 46.686     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015058   | 0.015058   | 0.015058   |   0.0 |  0.03
Output  | 3.6007e-05 | 3.6007e-05 | 3.6007e-05 |   0.0 |  0.00
Modify  | 0.062113   | 0.062113   | 0.062113   |   0.0 |  0.13
Other   |            | 0.005448   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221254 ave      221254 max      221254 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221254
Ave neighs/atom = 110.627
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.905319892181, Press = 0.46435293271736
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10418.617     -10418.617     -10506.282     -10506.282      339.27426      339.27426      28102.319      28102.319     -1218.6048     -1218.6048    
    124000  -10425.337     -10425.337     -10510.477     -10510.477      329.50138      329.50138      28083.077      28083.077     -814.74969     -814.74969    
Loop time of 46.6333 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.853 ns/day, 12.954 hours/ns, 21.444 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    | 46.551     | 46.551     | 46.551     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01498    | 0.01498    | 0.01498    |   0.0 |  0.03
Output  | 2.8002e-05 | 2.8002e-05 | 2.8002e-05 |   0.0 |  0.00
Modify  | 0.061999   | 0.061999   | 0.061999   |   0.0 |  0.13
Other   |            | 0.005497   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221302 ave      221302 max      221302 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221302
Ave neighs/atom = 110.651
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 = 332.916549313317, Press = 0.469409903443273
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10425.337     -10425.337     -10510.477     -10510.477      329.50138      329.50138      28083.077      28083.077     -814.74969     -814.74969    
    125000  -10422.52      -10422.52      -10508.135     -10508.135      331.33848      331.33848      28067.807      28067.807      324.41951      324.41951    
Loop time of 46.6732 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.851 ns/day, 12.965 hours/ns, 21.426 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    | 46.59      | 46.59      | 46.59      |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014969   | 0.014969   | 0.014969   |   0.0 |  0.03
Output  | 2.9686e-05 | 2.9686e-05 | 2.9686e-05 |   0.0 |  0.00
Modify  | 0.062241   | 0.062241   | 0.062241   |   0.0 |  0.13
Other   |            | 0.005559   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221566 ave      221566 max      221566 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221566
Ave neighs/atom = 110.783
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.901520909213, Press = 0.542791452963643
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10422.52      -10422.52      -10508.135     -10508.135      331.33848      331.33848      28067.807      28067.807      324.41951      324.41951    
    126000  -10426.888     -10426.888     -10509.86      -10509.86       321.10806      321.10806      28031.867      28031.867      1899.1883      1899.1883    
Loop time of 46.6719 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.851 ns/day, 12.964 hours/ns, 21.426 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    | 46.589     | 46.589     | 46.589     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014938   | 0.014938   | 0.014938   |   0.0 |  0.03
Output  | 2.2392e-05 | 2.2392e-05 | 2.2392e-05 |   0.0 |  0.00
Modify  | 0.062102   | 0.062102   | 0.062102   |   0.0 |  0.13
Other   |            | 0.005531   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221392 ave      221392 max      221392 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221392
Ave neighs/atom = 110.696
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.894818483392, Press = 0.638549072499513
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10426.888     -10426.888     -10509.86      -10509.86       321.10806      321.10806      28031.867      28031.867      1899.1883      1899.1883    
    127000  -10421.369     -10421.369     -10508.718     -10508.718      338.04986      338.04986      27987.556      27987.556      4528.9913      4528.9913    
Loop time of 46.8369 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.845 ns/day, 13.010 hours/ns, 21.351 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    | 46.754     | 46.754     | 46.754     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015081   | 0.015081   | 0.015081   |   0.0 |  0.03
Output  | 3.0848e-05 | 3.0848e-05 | 3.0848e-05 |   0.0 |  0.00
Modify  | 0.06223    | 0.06223    | 0.06223    |   0.0 |  0.13
Other   |            | 0.005525   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221684 ave      221684 max      221684 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221684
Ave neighs/atom = 110.842
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.872403326011, Press = 0.656653997365782
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10421.369     -10421.369     -10508.718     -10508.718      338.04986      338.04986      27987.556      27987.556      4528.9913      4528.9913    
    128000  -10425.638     -10425.638     -10512.089     -10512.089      334.57598      334.57598      28025.039      28025.039      2160.9243      2160.9243    
Loop time of 46.928 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.841 ns/day, 13.036 hours/ns, 21.309 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    | 46.845     | 46.845     | 46.845     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0151     | 0.0151     | 0.0151     |   0.0 |  0.03
Output  | 3.0367e-05 | 3.0367e-05 | 3.0367e-05 |   0.0 |  0.00
Modify  | 0.062252   | 0.062252   | 0.062252   |   0.0 |  0.13
Other   |            | 0.005468   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221732 ave      221732 max      221732 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221732
Ave neighs/atom = 110.866
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.857582995924, Press = 0.219785610356471
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10425.638     -10425.638     -10512.089     -10512.089      334.57598      334.57598      28025.039      28025.039      2160.9243      2160.9243    
    129000  -10422.499     -10422.499     -10508.757     -10508.757      333.82892      333.82892      28046.215      28046.215      1449.7811      1449.7811    
Loop time of 46.7422 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.848 ns/day, 12.984 hours/ns, 21.394 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    | 46.659     | 46.659     | 46.659     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01505    | 0.01505    | 0.01505    |   0.0 |  0.03
Output  | 2.7933e-05 | 2.7933e-05 | 2.7933e-05 |   0.0 |  0.00
Modify  | 0.062372   | 0.062372   | 0.062372   |   0.0 |  0.13
Other   |            | 0.005553   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221950 ave      221950 max      221950 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221950
Ave neighs/atom = 110.975
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.857732461678, Press = 0.0707352407516035
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10422.499     -10422.499     -10508.757     -10508.757      333.82892      333.82892      28046.215      28046.215      1449.7811      1449.7811    
    130000  -10422.933     -10422.933     -10508.43      -10508.43       330.88168      330.88168      28046.272      28046.272      1407.2431      1407.2431    
Loop time of 46.6678 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.851 ns/day, 12.963 hours/ns, 21.428 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    | 46.585     | 46.585     | 46.585     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015056   | 0.015056   | 0.015056   |   0.0 |  0.03
Output  | 2.2402e-05 | 2.2402e-05 | 2.2402e-05 |   0.0 |  0.00
Modify  | 0.062125   | 0.062125   | 0.062125   |   0.0 |  0.13
Other   |            | 0.005515   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221718 ave      221718 max      221718 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221718
Ave neighs/atom = 110.859
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.83986779003, Press = -0.00381581546816973
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10422.933     -10422.933     -10508.43      -10508.43       330.88168      330.88168      28046.272      28046.272      1407.2431      1407.2431    
    131000  -10422.879     -10422.879     -10508.82      -10508.82       332.60368      332.60368      28054.931      28054.931      893.49677      893.49677    
Loop time of 46.6911 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.850 ns/day, 12.970 hours/ns, 21.417 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    | 46.608     | 46.608     | 46.608     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015091   | 0.015091   | 0.015091   |   0.0 |  0.03
Output  | 2.9095e-05 | 2.9095e-05 | 2.9095e-05 |   0.0 |  0.00
Modify  | 0.062063   | 0.062063   | 0.062063   |   0.0 |  0.13
Other   |            | 0.005433   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221526 ave      221526 max      221526 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221526
Ave neighs/atom = 110.763
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.832894354151, Press = -0.323632393316464
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10422.879     -10422.879     -10508.82      -10508.82       332.60368      332.60368      28054.931      28054.931      893.49677      893.49677    
    132000  -10421.544     -10421.544     -10507.06      -10507.06       330.95577      330.95577      28075.294      28075.294     -117.00819     -117.00819    
Loop time of 46.6603 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.852 ns/day, 12.961 hours/ns, 21.431 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    | 46.578     | 46.578     | 46.578     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014923   | 0.014923   | 0.014923   |   0.0 |  0.03
Output  | 2.9475e-05 | 2.9475e-05 | 2.9475e-05 |   0.0 |  0.00
Modify  | 0.061966   | 0.061966   | 0.061966   |   0.0 |  0.13
Other   |            | 0.005371   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221670 ave      221670 max      221670 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221670
Ave neighs/atom = 110.835
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 = 332.812764620131, Press = -0.63381127422138
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10421.544     -10421.544     -10507.06      -10507.06       330.95577      330.95577      28075.294      28075.294     -117.00819     -117.00819    
    133000  -10423.418     -10423.418     -10510.742     -10510.742      337.95412      337.95412      28092.925      28092.925     -1255.3256     -1255.3256    
Loop time of 46.6771 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.851 ns/day, 12.966 hours/ns, 21.424 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.595     | 46.595     | 46.595     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014837   | 0.014837   | 0.014837   |   0.0 |  0.03
Output  | 2.7411e-05 | 2.7411e-05 | 2.7411e-05 |   0.0 |  0.00
Modify  | 0.062036   | 0.062036   | 0.062036   |   0.0 |  0.13
Other   |            | 0.005374   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221434 ave      221434 max      221434 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221434
Ave neighs/atom = 110.717
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.827213161608, Press = -0.248051064131561
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10423.418     -10423.418     -10510.742     -10510.742      337.95412      337.95412      28092.925      28092.925     -1255.3256     -1255.3256    
    134000  -10418.152     -10418.152     -10505.82      -10505.82       339.28286      339.28286      28091.793      28091.793     -664.28738     -664.28738    
Loop time of 46.577 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.855 ns/day, 12.938 hours/ns, 21.470 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    | 46.495     | 46.495     | 46.495     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014799   | 0.014799   | 0.014799   |   0.0 |  0.03
Output  | 2.7602e-05 | 2.7602e-05 | 2.7602e-05 |   0.0 |  0.00
Modify  | 0.062135   | 0.062135   | 0.062135   |   0.0 |  0.13
Other   |            | 0.005378   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221728 ave      221728 max      221728 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221728
Ave neighs/atom = 110.864
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.851850178875, Press = -0.0216435015060146
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10418.152     -10418.152     -10505.82      -10505.82       339.28286      339.28286      28091.793      28091.793     -664.28738     -664.28738    
    135000  -10423.581     -10423.581     -10510.165     -10510.165      335.08846      335.08846      28089.599      28089.599     -1332.8648     -1332.8648    
Loop time of 46.6531 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.852 ns/day, 12.959 hours/ns, 21.435 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    | 46.571     | 46.571     | 46.571     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014763   | 0.014763   | 0.014763   |   0.0 |  0.03
Output  | 2.2453e-05 | 2.2453e-05 | 2.2453e-05 |   0.0 |  0.00
Modify  | 0.061912   | 0.061912   | 0.061912   |   0.0 |  0.13
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:       221320 ave      221320 max      221320 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221320
Ave neighs/atom = 110.66
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.864113992216, Press = 0.0781068414781388
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10423.581     -10423.581     -10510.165     -10510.165      335.08846      335.08846      28089.599      28089.599     -1332.8648     -1332.8648    
    136000  -10421.371     -10421.371     -10509.166     -10509.166      339.77764      339.77764      28101.184      28101.184     -1655.8963     -1655.8963    
Loop time of 46.7201 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.849 ns/day, 12.978 hours/ns, 21.404 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    | 46.638     | 46.638     | 46.638     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014933   | 0.014933   | 0.014933   |   0.0 |  0.03
Output  | 3.0648e-05 | 3.0648e-05 | 3.0648e-05 |   0.0 |  0.00
Modify  | 0.06208    | 0.06208    | 0.06208    |   0.0 |  0.13
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:       221540 ave      221540 max      221540 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221540
Ave neighs/atom = 110.77
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.879845829437, Press = 0.0496926091358368
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10421.371     -10421.371     -10509.166     -10509.166      339.77764      339.77764      28101.184      28101.184     -1655.8963     -1655.8963    
    137000  -10423.668     -10423.668     -10509.243     -10509.243      331.1863       331.1863       28121.92       28121.92      -2794.5382     -2794.5382    
Loop time of 46.7363 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.849 ns/day, 12.982 hours/ns, 21.397 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    | 46.654     | 46.654     | 46.654     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01489    | 0.01489    | 0.01489    |   0.0 |  0.03
Output  | 2.8193e-05 | 2.8193e-05 | 2.8193e-05 |   0.0 |  0.00
Modify  | 0.061963   | 0.061963   | 0.061963   |   0.0 |  0.13
Other   |            | 0.005326   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221398 ave      221398 max      221398 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221398
Ave neighs/atom = 110.699
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.877014856111, Press = 0.141067773202313
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10423.668     -10423.668     -10509.243     -10509.243      331.1863       331.1863       28121.92       28121.92      -2794.5382     -2794.5382    
    138000  -10418.7       -10418.7       -10508.815     -10508.815      348.75501      348.75501      28128.341      28128.341     -2920.4468     -2920.4468    
Loop time of 46.6842 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.851 ns/day, 12.968 hours/ns, 21.421 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    | 46.602     | 46.602     | 46.602     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014942   | 0.014942   | 0.014942   |   0.0 |  0.03
Output  | 2.7331e-05 | 2.7331e-05 | 2.7331e-05 |   0.0 |  0.00
Modify  | 0.061942   | 0.061942   | 0.061942   |   0.0 |  0.13
Other   |            | 0.005246   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221496 ave      221496 max      221496 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221496
Ave neighs/atom = 110.748
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.890569083367, Press = 0.505542267658136
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10418.7       -10418.7       -10508.815     -10508.815      348.75501      348.75501      28128.341      28128.341     -2920.4468     -2920.4468    
    139000  -10427.793     -10427.793     -10510.876     -10510.876      321.53931      321.53931      28087.438      28087.438     -1217.7962     -1217.7962    
Loop time of 46.6763 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.851 ns/day, 12.966 hours/ns, 21.424 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    | 46.594     | 46.594     | 46.594     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014937   | 0.014937   | 0.014937   |   0.0 |  0.03
Output  | 2.2452e-05 | 2.2452e-05 | 2.2452e-05 |   0.0 |  0.00
Modify  | 0.061896   | 0.061896   | 0.061896   |   0.0 |  0.13
Other   |            | 0.00525    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221316 ave      221316 max      221316 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221316
Ave neighs/atom = 110.658
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.891730493711, Press = 0.585014223189523
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10427.793     -10427.793     -10510.876     -10510.876      321.53931      321.53931      28087.438      28087.438     -1217.7962     -1217.7962    
    140000  -10422.305     -10422.305     -10508.021     -10508.021      331.72747      331.72747      28074.753      28074.753     -132.72389     -132.72389    
Loop time of 46.679 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.851 ns/day, 12.966 hours/ns, 21.423 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    | 46.597     | 46.597     | 46.597     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01493    | 0.01493    | 0.01493    |   0.0 |  0.03
Output  | 2.9796e-05 | 2.9796e-05 | 2.9796e-05 |   0.0 |  0.00
Modify  | 0.062012   | 0.062012   | 0.062012   |   0.0 |  0.13
Other   |            | 0.005353   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221542 ave      221542 max      221542 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221542
Ave neighs/atom = 110.771
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.877754443229, Press = 0.602036272533594
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10422.305     -10422.305     -10508.021     -10508.021      331.72747      331.72747      28074.753      28074.753     -132.72389     -132.72389    
    141000  -10425.456     -10425.456     -10510.706     -10510.706      329.92453      329.92453      28053.835      28053.835      682.80745      682.80745    
Loop time of 46.7367 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.849 ns/day, 12.982 hours/ns, 21.396 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    | 46.654     | 46.654     | 46.654     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014928   | 0.014928   | 0.014928   |   0.0 |  0.03
Output  | 2.7692e-05 | 2.7692e-05 | 2.7692e-05 |   0.0 |  0.00
Modify  | 0.062      | 0.062      | 0.062      |   0.0 |  0.13
Other   |            | 0.00524    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221452 ave      221452 max      221452 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221452
Ave neighs/atom = 110.726
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.876745117436, Press = 0.640714411533261
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10425.456     -10425.456     -10510.706     -10510.706      329.92453      329.92453      28053.835      28053.835      682.80745      682.80745    
    142000  -10424.17      -10424.17      -10509.359     -10509.359      329.6894       329.6894       28032.983      28032.983      1959.7339      1959.7339    
Loop time of 46.8453 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.844 ns/day, 13.013 hours/ns, 21.347 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    | 46.763     | 46.763     | 46.763     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014881   | 0.014881   | 0.014881   |   0.0 |  0.03
Output  | 2.7922e-05 | 2.7922e-05 | 2.7922e-05 |   0.0 |  0.00
Modify  | 0.062035   | 0.062035   | 0.062035   |   0.0 |  0.13
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:       221678 ave      221678 max      221678 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221678
Ave neighs/atom = 110.839
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.854171793344, Press = 0.527791747159004
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10424.17      -10424.17      -10509.359     -10509.359      329.6894       329.6894       28032.983      28032.983      1959.7339      1959.7339    
    143000  -10421.512     -10421.512     -10507.244     -10507.244      331.78994      331.78994      28027.296      28027.296      2424.1436      2424.1436    
Loop time of 46.8006 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.846 ns/day, 13.000 hours/ns, 21.367 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    | 46.718     | 46.718     | 46.718     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014955   | 0.014955   | 0.014955   |   0.0 |  0.03
Output  | 2.6389e-05 | 2.6389e-05 | 2.6389e-05 |   0.0 |  0.00
Modify  | 0.062059   | 0.062059   | 0.062059   |   0.0 |  0.13
Other   |            | 0.005273   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221646 ave      221646 max      221646 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221646
Ave neighs/atom = 110.823
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.850603758793, Press = 0.298406793340585
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10421.512     -10421.512     -10507.244     -10507.244      331.78994      331.78994      28027.296      28027.296      2424.1436      2424.1436    
    144000  -10418.694     -10418.694     -10507.878     -10507.878      345.15338      345.15338      28057.758      28057.758      848.89667      848.89667    
Loop time of 46.8266 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.845 ns/day, 13.007 hours/ns, 21.355 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    | 46.744     | 46.744     | 46.744     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014911   | 0.014911   | 0.014911   |   0.0 |  0.03
Output  | 2.2382e-05 | 2.2382e-05 | 2.2382e-05 |   0.0 |  0.00
Modify  | 0.062119   | 0.062119   | 0.062119   |   0.0 |  0.13
Other   |            | 0.005306   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221560 ave      221560 max      221560 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221560
Ave neighs/atom = 110.78
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.84577760649, Press = 0.110751631135503
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10418.694     -10418.694     -10507.878     -10507.878      345.15338      345.15338      28057.758      28057.758      848.89667      848.89667    
    145000  -10421.344     -10421.344     -10506.788     -10506.788      330.67936      330.67936      28058.137      28058.137      981.11857      981.11857    
Loop time of 46.7244 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.849 ns/day, 12.979 hours/ns, 21.402 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    | 46.642     | 46.642     | 46.642     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014929   | 0.014929   | 0.014929   |   0.0 |  0.03
Output  | 2.8965e-05 | 2.8965e-05 | 2.8965e-05 |   0.0 |  0.00
Modify  | 0.062181   | 0.062181   | 0.062181   |   0.0 |  0.13
Other   |            | 0.005263   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221510 ave      221510 max      221510 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221510
Ave neighs/atom = 110.755
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.844771085407, Press = 0.0490865339432446
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10421.344     -10421.344     -10506.788     -10506.788      330.67936      330.67936      28058.137      28058.137      981.11857      981.11857    
    146000  -10424.205     -10424.205     -10510.806     -10510.806      335.15687      335.15687      28062.433      28062.433      452.57662      452.57662    
Loop time of 46.6177 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.853 ns/day, 12.949 hours/ns, 21.451 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    | 46.535     | 46.535     | 46.535     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014972   | 0.014972   | 0.014972   |   0.0 |  0.03
Output  | 2.7461e-05 | 2.7461e-05 | 2.7461e-05 |   0.0 |  0.00
Modify  | 0.061958   | 0.061958   | 0.061958   |   0.0 |  0.13
Other   |            | 0.005255   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221458 ave      221458 max      221458 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221458
Ave neighs/atom = 110.729
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.824092541805, Press = 0.0281397413561676
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10424.205     -10424.205     -10510.806     -10510.806      335.15687      335.15687      28062.433      28062.433      452.57662      452.57662    
    147000  -10418.667     -10418.667     -10508.581     -10508.581      347.97777      347.97777      28081.998      28081.998     -338.80085     -338.80085    
Loop time of 46.7059 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.850 ns/day, 12.974 hours/ns, 21.411 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    | 46.624     | 46.624     | 46.624     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014963   | 0.014963   | 0.014963   |   0.0 |  0.03
Output  | 3.0808e-05 | 3.0808e-05 | 3.0808e-05 |   0.0 |  0.00
Modify  | 0.061928   | 0.061928   | 0.061928   |   0.0 |  0.13
Other   |            | 0.005281   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221824 ave      221824 max      221824 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221824
Ave neighs/atom = 110.912
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.837116035696, Press = -0.219150937990476
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10418.667     -10418.667     -10508.581     -10508.581      347.97777      347.97777      28081.998      28081.998     -338.80085     -338.80085    
    148000  -10423.036     -10423.036     -10508.238     -10508.238      329.73703      329.73703      28100.8        28100.8       -1430.2425     -1430.2425    
Loop time of 46.7738 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.847 ns/day, 12.993 hours/ns, 21.379 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    | 46.692     | 46.692     | 46.692     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014964   | 0.014964   | 0.014964   |   0.0 |  0.03
Output  | 2.2562e-05 | 2.2562e-05 | 2.2562e-05 |   0.0 |  0.00
Modify  | 0.062056   | 0.062056   | 0.062056   |   0.0 |  0.13
Other   |            | 0.005298   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221414 ave      221414 max      221414 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221414
Ave neighs/atom = 110.707
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.855907282912, Press = -0.42739419424255
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10423.036     -10423.036     -10508.238     -10508.238      329.73703      329.73703      28100.8        28100.8       -1430.2425     -1430.2425    
    149000  -10421.478     -10421.478     -10507.417     -10507.417      332.59082      332.59082      28110.069      28110.069     -1974.6553     -1974.6553    
Loop time of 46.783 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.847 ns/day, 12.995 hours/ns, 21.375 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    | 46.701     | 46.701     | 46.701     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014928   | 0.014928   | 0.014928   |   0.0 |  0.03
Output  | 3.1108e-05 | 3.1108e-05 | 3.1108e-05 |   0.0 |  0.00
Modify  | 0.062018   | 0.062018   | 0.062018   |   0.0 |  0.13
Other   |            | 0.005269   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221402 ave      221402 max      221402 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221402
Ave neighs/atom = 110.701
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.86243417855, Press = -0.0949387538972314
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10421.478     -10421.478     -10507.417     -10507.417      332.59082      332.59082      28110.069      28110.069     -1974.6553     -1974.6553    
    150000  -10423.543     -10423.543     -10508.914     -10508.914      330.39479      330.39479      28098.615      28098.615     -1694.9962     -1694.9962    
Loop time of 46.8359 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.845 ns/day, 13.010 hours/ns, 21.351 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    | 46.754     | 46.754     | 46.754     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0149     | 0.0149     | 0.0149     |   0.0 |  0.03
Output  | 2.7852e-05 | 2.7852e-05 | 2.7852e-05 |   0.0 |  0.00
Modify  | 0.062039   | 0.062039   | 0.062039   |   0.0 |  0.13
Other   |            | 0.005244   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221214 ave      221214 max      221214 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221214
Ave neighs/atom = 110.607
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.841057824232, Press = 0.162446004888381
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10423.543     -10423.543     -10508.914     -10508.914      330.39479      330.39479      28098.615      28098.615     -1694.9962     -1694.9962    
    151000  -10420.078     -10420.078     -10506.248     -10506.248      333.48823      333.48823      28092.564      28092.564     -987.125       -987.125      
Loop time of 46.7253 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.849 ns/day, 12.979 hours/ns, 21.402 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    | 46.643     | 46.643     | 46.643     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014935   | 0.014935   | 0.014935   |   0.0 |  0.03
Output  | 2.7291e-05 | 2.7291e-05 | 2.7291e-05 |   0.0 |  0.00
Modify  | 0.062015   | 0.062015   | 0.062015   |   0.0 |  0.13
Other   |            | 0.005264   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221450 ave      221450 max      221450 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221450
Ave neighs/atom = 110.725
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.845327636504, Press = 0.261967097243739
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10420.078     -10420.078     -10506.248     -10506.248      333.48823      333.48823      28092.564      28092.564     -987.125       -987.125      
    152000  -10420.908     -10420.908     -10506.091     -10506.091      329.66564      329.66564      28078.763      28078.763     -332.85646     -332.85646    
Loop time of 46.7571 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.848 ns/day, 12.988 hours/ns, 21.387 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    | 46.675     | 46.675     | 46.675     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014883   | 0.014883   | 0.014883   |   0.0 |  0.03
Output  | 2.665e-05  | 2.665e-05  | 2.665e-05  |   0.0 |  0.00
Modify  | 0.061986   | 0.061986   | 0.061986   |   0.0 |  0.13
Other   |            | 0.005288   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221186 ave      221186 max      221186 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221186
Ave neighs/atom = 110.593
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 = 332.853174353791, Press = 0.282717593342704
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10420.908     -10420.908     -10506.091     -10506.091      329.66564      329.66564      28078.763      28078.763     -332.85646     -332.85646    
    153000  -10422.142     -10422.142     -10508.232     -10508.232      333.18029      333.18029      28071.229      28071.229     -273.09348     -273.09348    
Loop time of 46.6459 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.852 ns/day, 12.957 hours/ns, 21.438 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    | 46.564     | 46.564     | 46.564     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014918   | 0.014918   | 0.014918   |   0.0 |  0.03
Output  | 2.2583e-05 | 2.2583e-05 | 2.2583e-05 |   0.0 |  0.00
Modify  | 0.061935   | 0.061935   | 0.061935   |   0.0 |  0.13
Other   |            | 0.005227   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221212 ave      221212 max      221212 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221212
Ave neighs/atom = 110.606
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.859940470165, Press = 0.350171147124848
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10422.142     -10422.142     -10508.232     -10508.232      333.18029      333.18029      28071.229      28071.229     -273.09348     -273.09348    
    154000  -10419.451     -10419.451     -10507.036     -10507.036      338.9614       338.9614       28061.198      28061.198      743.99598      743.99598    
Loop time of 46.8054 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.846 ns/day, 13.002 hours/ns, 21.365 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    | 46.723     | 46.723     | 46.723     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014878   | 0.014878   | 0.014878   |   0.0 |  0.03
Output  | 3.211e-05  | 3.211e-05  | 3.211e-05  |   0.0 |  0.00
Modify  | 0.062      | 0.062      | 0.062      |   0.0 |  0.13
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:       221426 ave      221426 max      221426 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221426
Ave neighs/atom = 110.713
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.882995385594, Press = 0.539187850727786
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10419.451     -10419.451     -10507.036     -10507.036      338.9614       338.9614       28061.198      28061.198      743.99598      743.99598    
    155000  -10423.382     -10423.382     -10509.766     -10509.766      334.31513      334.31513      28026.729      28026.729      2317.9426      2317.9426    
Loop time of 46.8308 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.845 ns/day, 13.009 hours/ns, 21.353 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    | 46.749     | 46.749     | 46.749     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014937   | 0.014937   | 0.014937   |   0.0 |  0.03
Output  | 2.7471e-05 | 2.7471e-05 | 2.7471e-05 |   0.0 |  0.00
Modify  | 0.062007   | 0.062007   | 0.062007   |   0.0 |  0.13
Other   |            | 0.00528    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221488 ave      221488 max      221488 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221488
Ave neighs/atom = 110.744
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.886108361125, Press = 0.695033528690402
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10423.382     -10423.382     -10509.766     -10509.766      334.31513      334.31513      28026.729      28026.729      2317.9426      2317.9426    
    156000  -10427.559     -10427.559     -10511.765     -10511.765      325.88724      325.88724      28017.834      28017.834      2325.5325      2325.5325    
Loop time of 46.6135 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.854 ns/day, 12.948 hours/ns, 21.453 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    | 46.531     | 46.531     | 46.531     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01494    | 0.01494    | 0.01494    |   0.0 |  0.03
Output  | 2.7641e-05 | 2.7641e-05 | 2.7641e-05 |   0.0 |  0.00
Modify  | 0.061905   | 0.061905   | 0.061905   |   0.0 |  0.13
Other   |            | 0.005237   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221646 ave      221646 max      221646 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221646
Ave neighs/atom = 110.823
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.880124578431, Press = 0.388857028950283
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10427.559     -10427.559     -10511.765     -10511.765      325.88724      325.88724      28017.834      28017.834      2325.5325      2325.5325    
    157000  -10421.912     -10421.912     -10507.214     -10507.214      330.12908      330.12908      28044.946      28044.946      1430.4413      1430.4413    
Loop time of 46.7582 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.848 ns/day, 12.988 hours/ns, 21.387 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    | 46.676     | 46.676     | 46.676     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014915   | 0.014915   | 0.014915   |   0.0 |  0.03
Output  | 2.2632e-05 | 2.2632e-05 | 2.2632e-05 |   0.0 |  0.00
Modify  | 0.062037   | 0.062037   | 0.062037   |   0.0 |  0.13
Other   |            | 0.005279   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221848 ave      221848 max      221848 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221848
Ave neighs/atom = 110.924
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.866492386237, Press = 0.179920583719625
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10421.912     -10421.912     -10507.214     -10507.214      330.12908      330.12908      28044.946      28044.946      1430.4413      1430.4413    
    158000  -10426.569     -10426.569     -10511.142     -10511.142      327.30787      327.30787      28055.27       28055.27       512.51341      512.51341    
Loop time of 46.7615 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.848 ns/day, 12.989 hours/ns, 21.385 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    | 46.679     | 46.679     | 46.679     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014912   | 0.014912   | 0.014912   |   0.0 |  0.03
Output  | 2.9545e-05 | 2.9545e-05 | 2.9545e-05 |   0.0 |  0.00
Modify  | 0.062056   | 0.062056   | 0.062056   |   0.0 |  0.13
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:       221404 ave      221404 max      221404 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221404
Ave neighs/atom = 110.702
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.860209739226, Press = 0.106528773922634
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10426.569     -10426.569     -10511.142     -10511.142      327.30787      327.30787      28055.27       28055.27       512.51341      512.51341    
    159000  -10423.37      -10423.37      -10507.575     -10507.575      325.88406      325.88406      28055.056      28055.056      855.16689      855.16689    
Loop time of 46.6905 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.850 ns/day, 12.970 hours/ns, 21.418 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    | 46.608     | 46.608     | 46.608     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014927   | 0.014927   | 0.014927   |   0.0 |  0.03
Output  | 4.9824e-05 | 4.9824e-05 | 4.9824e-05 |   0.0 |  0.00
Modify  | 0.061873   | 0.061873   | 0.061873   |   0.0 |  0.13
Other   |            | 0.005246   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221734 ave      221734 max      221734 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221734
Ave neighs/atom = 110.867
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.834532181184, Press = 0.0722396603017305
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10423.37      -10423.37      -10507.575     -10507.575      325.88406      325.88406      28055.056      28055.056      855.16689      855.16689    
    160000  -10423.141     -10423.141     -10509.552     -10509.552      334.4223       334.4223       28050.926      28050.926      1008.0746      1008.0746    
Loop time of 46.6802 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.851 ns/day, 12.967 hours/ns, 21.422 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    | 46.598     | 46.598     | 46.598     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014856   | 0.014856   | 0.014856   |   0.0 |  0.03
Output  | 2.8263e-05 | 2.8263e-05 | 2.8263e-05 |   0.0 |  0.00
Modify  | 0.062005   | 0.062005   | 0.062005   |   0.0 |  0.13
Other   |            | 0.005252   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221448 ave      221448 max      221448 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221448
Ave neighs/atom = 110.724
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.833571244596, Press = -0.0575944240058621
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10423.141     -10423.141     -10509.552     -10509.552      334.4223       334.4223       28050.926      28050.926      1008.0746      1008.0746    
    161000  -10423.915     -10423.915     -10509.572     -10509.572      331.49851      331.49851      28056.996      28056.996      639.11528      639.11528    
Loop time of 46.6856 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.851 ns/day, 12.968 hours/ns, 21.420 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    | 46.603     | 46.603     | 46.603     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014913   | 0.014913   | 0.014913   |   0.0 |  0.03
Output  | 2.7882e-05 | 2.7882e-05 | 2.7882e-05 |   0.0 |  0.00
Modify  | 0.061917   | 0.061917   | 0.061917   |   0.0 |  0.13
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:       221516 ave      221516 max      221516 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221516
Ave neighs/atom = 110.758
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.812869346244, Press = -0.153417946323826
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10423.915     -10423.915     -10509.572     -10509.572      331.49851      331.49851      28056.996      28056.996      639.11528      639.11528    
    162000  -10424.301     -10424.301     -10509.624     -10509.624      330.20549      330.20549      28071.471      28071.471     -326.9776      -326.9776     
Loop time of 46.7286 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.849 ns/day, 12.980 hours/ns, 21.400 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    | 46.647     | 46.647     | 46.647     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014871   | 0.014871   | 0.014871   |   0.0 |  0.03
Output  | 2.3785e-05 | 2.3785e-05 | 2.3785e-05 |   0.0 |  0.00
Modify  | 0.061816   | 0.061816   | 0.061816   |   0.0 |  0.13
Other   |            | 0.005208   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221588 ave      221588 max      221588 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221588
Ave neighs/atom = 110.794
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.810268765192, Press = -0.334287556820926
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10424.301     -10424.301     -10509.624     -10509.624      330.20549      330.20549      28071.471      28071.471     -326.9776      -326.9776     
    163000  -10422.085     -10422.085     -10507.896     -10507.896      332.09917      332.09917      28109.88       28109.88      -1964.5306     -1964.5306    
Loop time of 46.5928 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.854 ns/day, 12.942 hours/ns, 21.463 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    | 46.511     | 46.511     | 46.511     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014862   | 0.014862   | 0.014862   |   0.0 |  0.03
Output  | 3.6999e-05 | 3.6999e-05 | 3.6999e-05 |   0.0 |  0.00
Modify  | 0.061996   | 0.061996   | 0.061996   |   0.0 |  0.13
Other   |            | 0.005251   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221412 ave      221412 max      221412 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221412
Ave neighs/atom = 110.706
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.811343560425, Press = -0.535256981626524
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10422.085     -10422.085     -10507.896     -10507.896      332.09917      332.09917      28109.88       28109.88      -1964.5306     -1964.5306    
    164000  -10428.456     -10428.456     -10514.264     -10514.264      332.08564      332.08564      28092.655      28092.655     -1756.8357     -1756.8357    
Loop time of 46.6789 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.851 ns/day, 12.966 hours/ns, 21.423 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    | 46.597     | 46.597     | 46.597     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01491    | 0.01491    | 0.01491    |   0.0 |  0.03
Output  | 2.7512e-05 | 2.7512e-05 | 2.7512e-05 |   0.0 |  0.00
Modify  | 0.061841   | 0.061841   | 0.061841   |   0.0 |  0.13
Other   |            | 0.005252   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221364 ave      221364 max      221364 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221364
Ave neighs/atom = 110.682
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 = 332.799890424953, Press = -0.0653708108227179
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10428.456     -10428.456     -10514.264     -10514.264      332.08564      332.08564      28092.655      28092.655     -1756.8357     -1756.8357    
    165000  -10419.953     -10419.953     -10506.069     -10506.069      333.2764       333.2764       28090.757      28090.757     -909.24975     -909.24975    
Loop time of 46.6427 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.852 ns/day, 12.956 hours/ns, 21.440 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    | 46.561     | 46.561     | 46.561     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014878   | 0.014878   | 0.014878   |   0.0 |  0.03
Output  | 2.7492e-05 | 2.7492e-05 | 2.7492e-05 |   0.0 |  0.00
Modify  | 0.061876   | 0.061876   | 0.061876   |   0.0 |  0.13
Other   |            | 0.00525    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221710 ave      221710 max      221710 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221710
Ave neighs/atom = 110.855
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.791840646183, Press = 0.0881979083543387
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10419.953     -10419.953     -10506.069     -10506.069      333.2764       333.2764       28090.757      28090.757     -909.24975     -909.24975    
    166000  -10423.766     -10423.766     -10507.396     -10507.396      323.65943      323.65943      28092.792      28092.792     -1097.754      -1097.754     
Loop time of 46.6072 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.854 ns/day, 12.946 hours/ns, 21.456 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    | 46.525     | 46.525     | 46.525     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015015   | 0.015015   | 0.015015   |   0.0 |  0.03
Output  | 2.2572e-05 | 2.2572e-05 | 2.2572e-05 |   0.0 |  0.00
Modify  | 0.061867   | 0.061867   | 0.061867   |   0.0 |  0.13
Other   |            | 0.005248   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221156 ave      221156 max      221156 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221156
Ave neighs/atom = 110.578
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.79867353564, Press = 0.183429220563308
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10423.766     -10423.766     -10507.396     -10507.396      323.65943      323.65943      28092.792      28092.792     -1097.754      -1097.754     
    167000  -10420.124     -10420.124     -10507.821     -10507.821      339.39814      339.39814      28109.737      28109.737     -1997.2618     -1997.2618    
Loop time of 46.8097 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.846 ns/day, 13.003 hours/ns, 21.363 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    | 46.727     | 46.727     | 46.727     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014995   | 0.014995   | 0.014995   |   0.0 |  0.03
Output  | 2.9575e-05 | 2.9575e-05 | 2.9575e-05 |   0.0 |  0.00
Modify  | 0.061977   | 0.061977   | 0.061977   |   0.0 |  0.13
Other   |            | 0.005243   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221292 ave      221292 max      221292 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221292
Ave neighs/atom = 110.646
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.821809913591, Press = 0.245914167905029
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10420.124     -10420.124     -10507.821     -10507.821      339.39814      339.39814      28109.737      28109.737     -1997.2618     -1997.2618    
    168000  -10420.961     -10420.961     -10507.126     -10507.126      333.46478      333.46478      28125.563      28125.563     -2756.6994     -2756.6994    
Loop time of 46.6179 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.853 ns/day, 12.949 hours/ns, 21.451 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    | 46.536     | 46.536     | 46.536     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014891   | 0.014891   | 0.014891   |   0.0 |  0.03
Output  | 2.9486e-05 | 2.9486e-05 | 2.9486e-05 |   0.0 |  0.00
Modify  | 0.061973   | 0.061973   | 0.061973   |   0.0 |  0.13
Other   |            | 0.005268   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221106 ave      221106 max      221106 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221106
Ave neighs/atom = 110.553
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.827317143605, Press = 0.635017809595799
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10420.961     -10420.961     -10507.126     -10507.126      333.46478      333.46478      28125.563      28125.563     -2756.6994     -2756.6994    
    169000  -10425.526     -10425.526     -10510.726     -10510.726      329.73128      329.73128      28082.708      28082.708     -819.902       -819.902      
Loop time of 46.6394 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.853 ns/day, 12.955 hours/ns, 21.441 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    | 46.557     | 46.557     | 46.557     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014919   | 0.014919   | 0.014919   |   0.0 |  0.03
Output  | 3.0557e-05 | 3.0557e-05 | 3.0557e-05 |   0.0 |  0.00
Modify  | 0.062056   | 0.062056   | 0.062056   |   0.0 |  0.13
Other   |            | 0.005257   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221214 ave      221214 max      221214 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221214
Ave neighs/atom = 110.607
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.825069415377, Press = 0.6322577824664
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10425.526     -10425.526     -10510.726     -10510.726      329.73128      329.73128      28082.708      28082.708     -819.902       -819.902      
    170000  -10420.907     -10420.907     -10507.689     -10507.689      335.85356      335.85356      28069.736      28069.736      258.34782      258.34782    
Loop time of 46.5939 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.854 ns/day, 12.943 hours/ns, 21.462 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    | 46.512     | 46.512     | 46.512     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014996   | 0.014996   | 0.014996   |   0.0 |  0.03
Output  | 2.7191e-05 | 2.7191e-05 | 2.7191e-05 |   0.0 |  0.00
Modify  | 0.061966   | 0.061966   | 0.061966   |   0.0 |  0.13
Other   |            | 0.00527    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221644 ave      221644 max      221644 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221644
Ave neighs/atom = 110.822
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.818298713333, Press = 0.472036385573946
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10420.907     -10420.907     -10507.689     -10507.689      335.85356      335.85356      28069.736      28069.736      258.34782      258.34782    
    171000  -10421.755     -10421.755     -10508.245     -10508.245      334.72705      334.72705      28053.988      28053.988      1014.1371      1014.1371    
Loop time of 46.719 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.849 ns/day, 12.977 hours/ns, 21.405 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    | 46.637     | 46.637     | 46.637     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014954   | 0.014954   | 0.014954   |   0.0 |  0.03
Output  | 2.2512e-05 | 2.2512e-05 | 2.2512e-05 |   0.0 |  0.00
Modify  | 0.062012   | 0.062012   | 0.062012   |   0.0 |  0.13
Other   |            | 0.005251   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221588 ave      221588 max      221588 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221588
Ave neighs/atom = 110.794
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.818212819954, Press = 0.362625925181079
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10421.755     -10421.755     -10508.245     -10508.245      334.72705      334.72705      28053.988      28053.988      1014.1371      1014.1371    
    172000  -10422.897     -10422.897     -10508.758     -10508.758      332.29033      332.29033      28028.945      28028.945      2339.9042      2339.9042    
Loop time of 46.6861 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.851 ns/day, 12.968 hours/ns, 21.420 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    | 46.604     | 46.604     | 46.604     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014887   | 0.014887   | 0.014887   |   0.0 |  0.03
Output  | 2.9275e-05 | 2.9275e-05 | 2.9275e-05 |   0.0 |  0.00
Modify  | 0.061871   | 0.061871   | 0.061871   |   0.0 |  0.13
Other   |            | 0.005284   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221478 ave      221478 max      221478 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221478
Ave neighs/atom = 110.739
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 = 332.836887291616, Press = 0.32539930953914
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10422.897     -10422.897     -10508.758     -10508.758      332.29033      332.29033      28028.945      28028.945      2339.9042      2339.9042    
    173000  -10417.922     -10417.922     -10506.874     -10506.874      344.25307      344.25307      28011.504      28011.504      3674.5746      3674.5746    
Loop time of 46.6104 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.854 ns/day, 12.947 hours/ns, 21.454 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    | 46.528     | 46.528     | 46.528     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014956   | 0.014956   | 0.014956   |   0.0 |  0.03
Output  | 2.8112e-05 | 2.8112e-05 | 2.8112e-05 |   0.0 |  0.00
Modify  | 0.06208    | 0.06208    | 0.06208    |   0.0 |  0.13
Other   |            | 0.005264   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221588 ave      221588 max      221588 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221588
Ave neighs/atom = 110.794
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.848403394992, Press = 0.217306138754021
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10417.922     -10417.922     -10506.874     -10506.874      344.25307      344.25307      28011.504      28011.504      3674.5746      3674.5746    
    174000  -10424.23      -10424.23      -10510.495     -10510.495      333.85553      333.85553      28024.459      28024.459      2328.4578      2328.4578    
Loop time of 46.6982 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.850 ns/day, 12.972 hours/ns, 21.414 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    | 46.616     | 46.616     | 46.616     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01492    | 0.01492    | 0.01492    |   0.0 |  0.03
Output  | 2.7592e-05 | 2.7592e-05 | 2.7592e-05 |   0.0 |  0.00
Modify  | 0.061954   | 0.061954   | 0.061954   |   0.0 |  0.13
Other   |            | 0.005265   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221634 ave      221634 max      221634 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221634
Ave neighs/atom = 110.817
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.852914789493, Press = 0.018944790468293
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10424.23      -10424.23      -10510.495     -10510.495      333.85553      333.85553      28024.459      28024.459      2328.4578      2328.4578    
    175000  -10421.834     -10421.834     -10509.591     -10509.591      339.63112      339.63112      28058.663      28058.663      575.6254       575.6254     
Loop time of 46.7345 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.849 ns/day, 12.982 hours/ns, 21.397 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.652     | 46.652     | 46.652     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014976   | 0.014976   | 0.014976   |   0.0 |  0.03
Output  | 2.2432e-05 | 2.2432e-05 | 2.2432e-05 |   0.0 |  0.00
Modify  | 0.061938   | 0.061938   | 0.061938   |   0.0 |  0.13
Other   |            | 0.005261   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221874 ave      221874 max      221874 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221874
Ave neighs/atom = 110.937
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.846286122258, Press = 0.0274363504549605
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10421.834     -10421.834     -10509.591     -10509.591      339.63112      339.63112      28058.663      28058.663      575.6254       575.6254     
    176000  -10425.23      -10425.23      -10510.161     -10510.161      328.69181      328.69181      28059.233      28059.233      436.75694      436.75694    
Loop time of 46.6532 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.852 ns/day, 12.959 hours/ns, 21.435 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    | 46.571     | 46.571     | 46.571     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014923   | 0.014923   | 0.014923   |   0.0 |  0.03
Output  | 2.9255e-05 | 2.9255e-05 | 2.9255e-05 |   0.0 |  0.00
Modify  | 0.061941   | 0.061941   | 0.061941   |   0.0 |  0.13
Other   |            | 0.005246   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221584 ave      221584 max      221584 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221584
Ave neighs/atom = 110.792
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.84458689935, Press = 0.031272861343128
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10425.23      -10425.23      -10510.161     -10510.161      328.69181      328.69181      28059.233      28059.233      436.75694      436.75694    
    177000  -10422.832     -10422.832     -10509.393     -10509.393      334.99742      334.99742      28076.627      28076.627     -277.88949     -277.88949    
Loop time of 46.7788 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.847 ns/day, 12.994 hours/ns, 21.377 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    | 46.696     | 46.696     | 46.696     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015018   | 0.015018   | 0.015018   |   0.0 |  0.03
Output  | 3.0236e-05 | 3.0236e-05 | 3.0236e-05 |   0.0 |  0.00
Modify  | 0.062207   | 0.062207   | 0.062207   |   0.0 |  0.13
Other   |            | 0.005287   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221708 ave      221708 max      221708 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221708
Ave neighs/atom = 110.854
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.824408623268, Press = -0.00844132147898299
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10422.832     -10422.832     -10509.393     -10509.393      334.99742      334.99742      28076.627      28076.627     -277.88949     -277.88949    
    178000  -10425.609     -10425.609     -10510.24      -10510.24       327.52825      327.52825      28095.364      28095.364     -1421.8994     -1421.8994    
Loop time of 46.7441 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.848 ns/day, 12.984 hours/ns, 21.393 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    | 46.662     | 46.662     | 46.662     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014957   | 0.014957   | 0.014957   |   0.0 |  0.03
Output  | 2.7972e-05 | 2.7972e-05 | 2.7972e-05 |   0.0 |  0.00
Modify  | 0.062141   | 0.062141   | 0.062141   |   0.0 |  0.13
Other   |            | 0.005329   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221502 ave      221502 max      221502 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221502
Ave neighs/atom = 110.751
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.82068002599, Press = -0.182358395081437
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10425.609     -10425.609     -10510.24      -10510.24       327.52825      327.52825      28095.364      28095.364     -1421.8994     -1421.8994    
    179000  -10421.297     -10421.297     -10507.465     -10507.465      333.47803      333.47803      28125.171      28125.171     -2835.4994     -2835.4994    
Loop time of 46.7516 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.848 ns/day, 12.987 hours/ns, 21.390 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    | 46.669     | 46.669     | 46.669     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014988   | 0.014988   | 0.014988   |   0.0 |  0.03
Output  | 3.0538e-05 | 3.0538e-05 | 3.0538e-05 |   0.0 |  0.00
Modify  | 0.062046   | 0.062046   | 0.062046   |   0.0 |  0.13
Other   |            | 0.005258   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221444 ave      221444 max      221444 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221444
Ave neighs/atom = 110.722
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.822952247967, Press = -0.129807252870928
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10421.297     -10421.297     -10507.465     -10507.465      333.47803      333.47803      28125.171      28125.171     -2835.4994     -2835.4994    
    180000  -10423.024     -10423.024     -10508.145     -10508.145      329.42483      329.42483      28115.746      28115.746     -2586.9949     -2586.9949    
Loop time of 46.637 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.853 ns/day, 12.955 hours/ns, 21.442 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    | 46.555     | 46.555     | 46.555     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014895   | 0.014895   | 0.014895   |   0.0 |  0.03
Output  | 2.2954e-05 | 2.2954e-05 | 2.2954e-05 |   0.0 |  0.00
Modify  | 0.061844   | 0.061844   | 0.061844   |   0.0 |  0.13
Other   |            | 0.005266   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221130 ave      221130 max      221130 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221130
Ave neighs/atom = 110.565
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.822617718189, Press = 0.124271536001782
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10423.024     -10423.024     -10508.145     -10508.145      329.42483      329.42483      28115.746      28115.746     -2586.9949     -2586.9949    
    181000  -10420.286     -10420.286     -10507.236     -10507.236      336.50334      336.50334      28107.435      28107.435     -1840.2026     -1840.2026    
Loop time of 46.6677 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.851 ns/day, 12.963 hours/ns, 21.428 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    | 46.585     | 46.585     | 46.585     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01506    | 0.01506    | 0.01506    |   0.0 |  0.03
Output  | 2.9977e-05 | 2.9977e-05 | 2.9977e-05 |   0.0 |  0.00
Modify  | 0.062013   | 0.062013   | 0.062013   |   0.0 |  0.13
Other   |            | 0.005273   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221154 ave      221154 max      221154 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221154
Ave neighs/atom = 110.577
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.825579766267, Press = 0.266731235399637
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10420.286     -10420.286     -10507.236     -10507.236      336.50334      336.50334      28107.435      28107.435     -1840.2026     -1840.2026    
    182000  -10424.218     -10424.218     -10506.43      -10506.43       318.17102      318.17102      28088.046      28088.046     -855.53046     -855.53046    
Loop time of 46.7015 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.850 ns/day, 12.973 hours/ns, 21.413 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    | 46.618     | 46.618     | 46.618     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01498    | 0.01498    | 0.01498    |   0.0 |  0.03
Output  | 5.4673e-05 | 5.4673e-05 | 5.4673e-05 |   0.0 |  0.00
Modify  | 0.062675   | 0.062675   | 0.062675   |   0.0 |  0.13
Other   |            | 0.005281   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221218 ave      221218 max      221218 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221218
Ave neighs/atom = 110.609
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.827975305797, Press = 0.331246549718355
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10424.218     -10424.218     -10506.43      -10506.43       318.17102      318.17102      28088.046      28088.046     -855.53046     -855.53046    
    183000  -10419.312     -10419.312     -10505.378     -10505.378      333.0847       333.0847       28081.977      28081.977     -408.57413     -408.57413    
Loop time of 46.6725 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.851 ns/day, 12.965 hours/ns, 21.426 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    | 46.59      | 46.59      | 46.59      |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015025   | 0.015025   | 0.015025   |   0.0 |  0.03
Output  | 4.9253e-05 | 4.9253e-05 | 4.9253e-05 |   0.0 |  0.00
Modify  | 0.062245   | 0.062245   | 0.062245   |   0.0 |  0.13
Other   |            | 0.00528    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221216 ave      221216 max      221216 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221216
Ave neighs/atom = 110.608
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 = 332.839087821462, Press = 0.292344866343424
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10419.312     -10419.312     -10505.378     -10505.378      333.0847       333.0847       28081.977      28081.977     -408.57413     -408.57413    
    184000  -10420.306     -10420.306     -10509.688     -10509.688      345.91682      345.91682      28072.672      28072.672     -244.30766     -244.30766    
Loop time of 46.6606 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.852 ns/day, 12.961 hours/ns, 21.431 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    | 46.578     | 46.578     | 46.578     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014991   | 0.014991   | 0.014991   |   0.0 |  0.03
Output  | 2.9245e-05 | 2.9245e-05 | 2.9245e-05 |   0.0 |  0.00
Modify  | 0.062191   | 0.062191   | 0.062191   |   0.0 |  0.13
Other   |            | 0.005276   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221294 ave      221294 max      221294 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221294
Ave neighs/atom = 110.647
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 = 332.839561397737, Press = 0.230866040645918
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10420.306     -10420.306     -10509.688     -10509.688      345.91682      345.91682      28072.672      28072.672     -244.30766     -244.30766    
    185000  -10423.306     -10423.306     -10508.45      -10508.45       329.51524      329.51524      28051.374      28051.374      1075.5621      1075.5621    
Loop time of 46.8179 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.845 ns/day, 13.005 hours/ns, 21.359 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    | 46.735     | 46.735     | 46.735     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014955   | 0.014955   | 0.014955   |   0.0 |  0.03
Output  | 5.8851e-05 | 5.8851e-05 | 5.8851e-05 |   0.0 |  0.00
Modify  | 0.062401   | 0.062401   | 0.062401   |   0.0 |  0.13
Other   |            | 0.005335   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221366 ave      221366 max      221366 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221366
Ave neighs/atom = 110.683
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 = 332.842061669869, Press = 0.201003738354026
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10423.306     -10423.306     -10508.45      -10508.45       329.51524      329.51524      28051.374      28051.374      1075.5621      1075.5621    
    186000  -10420.93      -10420.93      -10507.199     -10507.199      333.87046      333.87046      28049.58       28049.58       1431.7597      1431.7597    
Loop time of 46.6582 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.852 ns/day, 12.961 hours/ns, 21.432 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    | 46.575     | 46.575     | 46.575     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014989   | 0.014989   | 0.014989   |   0.0 |  0.03
Output  | 5.7148e-05 | 5.7148e-05 | 5.7148e-05 |   0.0 |  0.00
Modify  | 0.062406   | 0.062406   | 0.062406   |   0.0 |  0.13
Other   |            | 0.005296   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221384 ave      221384 max      221384 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221384
Ave neighs/atom = 110.692
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.843799486133, Press = 0.129679823850611
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10420.93      -10420.93      -10507.199     -10507.199      333.87046      333.87046      28049.58       28049.58       1431.7597      1431.7597    
    187000  -10422.886     -10422.886     -10509.705     -10509.705      335.99901      335.99901      28019.302      28019.302      2691.4088      2691.4088    
Loop time of 46.7051 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.850 ns/day, 12.974 hours/ns, 21.411 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    | 46.623     | 46.623     | 46.623     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014904   | 0.014904   | 0.014904   |   0.0 |  0.03
Output  | 5.1687e-05 | 5.1687e-05 | 5.1687e-05 |   0.0 |  0.00
Modify  | 0.06225    | 0.06225    | 0.06225    |   0.0 |  0.13
Other   |            | 0.00529    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221532 ave      221532 max      221532 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221532
Ave neighs/atom = 110.766
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.843624826658, Press = -0.053990463035816
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10422.886     -10422.886     -10509.705     -10509.705      335.99901      335.99901      28019.302      28019.302      2691.4088      2691.4088    
    188000  -10420.043     -10420.043     -10508.938     -10508.938      344.0307       344.0307       28042.378      28042.378      1561.7115      1561.7115    
Loop time of 46.7065 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.850 ns/day, 12.974 hours/ns, 21.410 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    | 46.624     | 46.624     | 46.624     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014925   | 0.014925   | 0.014925   |   0.0 |  0.03
Output  | 3.4395e-05 | 3.4395e-05 | 3.4395e-05 |   0.0 |  0.00
Modify  | 0.06235    | 0.06235    | 0.06235    |   0.0 |  0.13
Other   |            | 0.005278   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221602 ave      221602 max      221602 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221602
Ave neighs/atom = 110.801
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.847736506833, Press = -0.219853745392466
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10420.043     -10420.043     -10508.938     -10508.938      344.0307       344.0307       28042.378      28042.378      1561.7115      1561.7115    
    189000  -10422.514     -10422.514     -10510.249     -10510.249      339.5418       339.5418       28060.174      28060.174      328.9244       328.9244     
Loop time of 46.7965 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.846 ns/day, 12.999 hours/ns, 21.369 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    | 46.714     | 46.714     | 46.714     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014991   | 0.014991   | 0.014991   |   0.0 |  0.03
Output  | 3.0587e-05 | 3.0587e-05 | 3.0587e-05 |   0.0 |  0.00
Modify  | 0.062417   | 0.062417   | 0.062417   |   0.0 |  0.13
Other   |            | 0.005287   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221414 ave      221414 max      221414 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221414
Ave neighs/atom = 110.707
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.870382687968, Press = -0.18820443148247
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10422.514     -10422.514     -10510.249     -10510.249      339.5418       339.5418       28060.174      28060.174      328.9244       328.9244     
    190000  -10420.531     -10420.531     -10508.333     -10508.333      339.80321      339.80321      28079.363      28079.363     -641.78559     -641.78559    
Loop time of 46.8312 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.845 ns/day, 13.009 hours/ns, 21.353 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    | 46.749     | 46.749     | 46.749     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014939   | 0.014939   | 0.014939   |   0.0 |  0.03
Output  | 5.817e-05  | 5.817e-05  | 5.817e-05  |   0.0 |  0.00
Modify  | 0.062243   | 0.062243   | 0.062243   |   0.0 |  0.13
Other   |            | 0.005288   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221480 ave      221480 max      221480 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221480
Ave neighs/atom = 110.74
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.873985908294, Press = 0.00855963079898509
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10420.531     -10420.531     -10508.333     -10508.333      339.80321      339.80321      28079.363      28079.363     -641.78559     -641.78559    
    191000  -10422.979     -10422.979     -10507.669     -10507.669      327.76003      327.76003      28079.395      28079.395     -603.22879     -603.22879    
Loop time of 46.7786 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.847 ns/day, 12.994 hours/ns, 21.377 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    | 46.696     | 46.696     | 46.696     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014887   | 0.014887   | 0.014887   |   0.0 |  0.03
Output  | 5.0756e-05 | 5.0756e-05 | 5.0756e-05 |   0.0 |  0.00
Modify  | 0.062297   | 0.062297   | 0.062297   |   0.0 |  0.13
Other   |            | 0.005284   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221324 ave      221324 max      221324 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221324
Ave neighs/atom = 110.662
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 = 332.871077238611, Press = 0.0906838425051571
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10422.979     -10422.979     -10507.669     -10507.669      327.76003      327.76003      28079.395      28079.395     -603.22879     -603.22879    
    192000  -10424.554     -10424.554     -10507.271     -10507.271      320.12005      320.12005      28075.817      28075.817     -402.09836     -402.09836    
Loop time of 46.7716 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.847 ns/day, 12.992 hours/ns, 21.380 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    | 46.689     | 46.689     | 46.689     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01495    | 0.01495    | 0.01495    |   0.0 |  0.03
Output  | 5.0886e-05 | 5.0886e-05 | 5.0886e-05 |   0.0 |  0.00
Modify  | 0.06227    | 0.06227    | 0.06227    |   0.0 |  0.13
Other   |            | 0.005268   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221274 ave      221274 max      221274 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221274
Ave neighs/atom = 110.637
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 = 332.885405885072, Press = -0.0204793201148263
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10424.554     -10424.554     -10507.271     -10507.271      320.12005      320.12005      28075.817      28075.817     -402.09836     -402.09836    
    193000  -10423.641     -10423.641     -10506.489     -10506.489      320.63251      320.63251      28107.107      28107.107     -1881.9877     -1881.9877    
Loop time of 46.8057 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.846 ns/day, 13.002 hours/ns, 21.365 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    | 46.723     | 46.723     | 46.723     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015002   | 0.015002   | 0.015002   |   0.0 |  0.03
Output  | 3.75e-05   | 3.75e-05   | 3.75e-05   |   0.0 |  0.00
Modify  | 0.06232    | 0.06232    | 0.06232    |   0.0 |  0.13
Other   |            | 0.005296   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221396 ave      221396 max      221396 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221396
Ave neighs/atom = 110.698
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.870348264356, Press = -0.0967591052252594
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10423.641     -10423.641     -10506.489     -10506.489      320.63251      320.63251      28107.107      28107.107     -1881.9877     -1881.9877    
    194000  -10424.403     -10424.403     -10508.881     -10508.881      326.93772      326.93772      28135.412      28135.412     -3611.5317     -3611.5317    
Loop time of 46.8358 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.845 ns/day, 13.010 hours/ns, 21.351 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    | 46.753     | 46.753     | 46.753     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014913   | 0.014913   | 0.014913   |   0.0 |  0.03
Output  | 5.826e-05  | 5.826e-05  | 5.826e-05  |   0.0 |  0.00
Modify  | 0.062227   | 0.062227   | 0.062227   |   0.0 |  0.13
Other   |            | 0.005295   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221214 ave      221214 max      221214 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221214
Ave neighs/atom = 110.607
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.865864717204, Press = 0.00733423803648852
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10424.403     -10424.403     -10508.881     -10508.881      326.93772      326.93772      28135.412      28135.412     -3611.5317     -3611.5317    
    195000  -10425.218     -10425.218     -10510.09      -10510.09       328.46392      328.46392      28108.933      28108.933     -2244.836      -2244.836     
Loop time of 46.7799 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.847 ns/day, 12.994 hours/ns, 21.377 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    | 46.697     | 46.697     | 46.697     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01493    | 0.01493    | 0.01493    |   0.0 |  0.03
Output  | 5.845e-05  | 5.845e-05  | 5.845e-05  |   0.0 |  0.00
Modify  | 0.06226    | 0.06226    | 0.06226    |   0.0 |  0.13
Other   |            | 0.005326   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221272 ave      221272 max      221272 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221272
Ave neighs/atom = 110.636
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.851389372308, Press = 0.232020624486163
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10425.218     -10425.218     -10510.09      -10510.09       328.46392      328.46392      28108.933      28108.933     -2244.836      -2244.836     
    196000  -10424.084     -10424.084     -10509.091     -10509.091      328.98718      328.98718      28088.697      28088.697     -1151.907      -1151.907     
Loop time of 46.8241 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.845 ns/day, 13.007 hours/ns, 21.357 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    | 46.741     | 46.741     | 46.741     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014991   | 0.014991   | 0.014991   |   0.0 |  0.03
Output  | 5.0735e-05 | 5.0735e-05 | 5.0735e-05 |   0.0 |  0.00
Modify  | 0.062332   | 0.062332   | 0.062332   |   0.0 |  0.13
Other   |            | 0.005305   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221418 ave      221418 max      221418 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221418
Ave neighs/atom = 110.709
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.852125060818, Press = 0.237733748212747
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10424.084     -10424.084     -10509.091     -10509.091      328.98718      328.98718      28088.697      28088.697     -1151.907      -1151.907     
    197000  -10417.307     -10417.307     -10507.071     -10507.071      347.39964      347.39964      28090.989      28090.989     -806.3199      -806.3199     
Loop time of 46.6662 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.851 ns/day, 12.963 hours/ns, 21.429 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    | 46.584     | 46.584     | 46.584     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014863   | 0.014863   | 0.014863   |   0.0 |  0.03
Output  | 6.9791e-05 | 6.9791e-05 | 6.9791e-05 |   0.0 |  0.00
Modify  | 0.062288   | 0.062288   | 0.062288   |   0.0 |  0.13
Other   |            | 0.005278   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221404 ave      221404 max      221404 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221404
Ave neighs/atom = 110.702
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.861931756749, Press = 0.279000274739215
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10417.307     -10417.307     -10507.071     -10507.071      347.39964      347.39964      28090.989      28090.989     -806.3199      -806.3199     
    198000  -10425.188     -10425.188     -10510.572     -10510.572      330.44593      330.44593      28073.387      28073.387     -301.98861     -301.98861    
Loop time of 46.6021 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.854 ns/day, 12.945 hours/ns, 21.458 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    | 46.519     | 46.519     | 46.519     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014985   | 0.014985   | 0.014985   |   0.0 |  0.03
Output  | 3.0277e-05 | 3.0277e-05 | 3.0277e-05 |   0.0 |  0.00
Modify  | 0.062447   | 0.062447   | 0.062447   |   0.0 |  0.13
Other   |            | 0.005294   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221322 ave      221322 max      221322 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221322
Ave neighs/atom = 110.661
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.869647875408, Press = 0.301471984002532
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10425.188     -10425.188     -10510.572     -10510.572      330.44593      330.44593      28073.387      28073.387     -301.98861     -301.98861    
    199000  -10421.766     -10421.766     -10506.73      -10506.73       328.81714      328.81714      28068.834      28068.834      257.10062      257.10062    
Loop time of 46.6895 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.851 ns/day, 12.969 hours/ns, 21.418 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    | 46.607     | 46.607     | 46.607     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015096   | 0.015096   | 0.015096   |   0.0 |  0.03
Output  | 5.4973e-05 | 5.4973e-05 | 5.4973e-05 |   0.0 |  0.00
Modify  | 0.062458   | 0.062458   | 0.062458   |   0.0 |  0.13
Other   |            | 0.005288   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221502 ave      221502 max      221502 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221502
Ave neighs/atom = 110.751
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.863546165784, Press = 0.363245127795794
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10421.766     -10421.766     -10506.73      -10506.73       328.81714      328.81714      28068.834      28068.834      257.10062      257.10062    
    200000  -10426.723     -10426.723     -10508.76      -10508.76       317.4923       317.4923       28044.396      28044.396      1396.1181      1396.1181    
Loop time of 46.7428 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.848 ns/day, 12.984 hours/ns, 21.394 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    | 46.66      | 46.66      | 46.66      |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015001   | 0.015001   | 0.015001   |   0.0 |  0.03
Output  | 4.9343e-05 | 4.9343e-05 | 4.9343e-05 |   0.0 |  0.00
Modify  | 0.062485   | 0.062485   | 0.062485   |   0.0 |  0.13
Other   |            | 0.005279   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221448 ave      221448 max      221448 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221448
Ave neighs/atom = 110.724
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.853639428409, Press = 0.353741476352379
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10426.723     -10426.723     -10508.76      -10508.76       317.4923       317.4923       28044.396      28044.396      1396.1181      1396.1181    
    201000  -10422.457     -10422.457     -10509.673     -10509.673      337.53324      337.53324      28035.574      28035.574      1794.6984      1794.6984    
Loop time of 46.8377 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.845 ns/day, 13.010 hours/ns, 21.350 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    | 46.755     | 46.755     | 46.755     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015032   | 0.015032   | 0.015032   |   0.0 |  0.03
Output  | 5.305e-05  | 5.305e-05  | 5.305e-05  |   0.0 |  0.00
Modify  | 0.062548   | 0.062548   | 0.062548   |   0.0 |  0.13
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:       221576 ave      221576 max      221576 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221576
Ave neighs/atom = 110.788
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.852141837189, Press = 0.299250965590267
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10422.457     -10422.457     -10509.673     -10509.673      337.53324      337.53324      28035.574      28035.574      1794.6984      1794.6984    
    202000  -10418.427     -10418.427     -10506.827     -10506.827      342.11875      342.11875      28027.008      28027.008      2524.035       2524.035     
Loop time of 46.7004 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.850 ns/day, 12.972 hours/ns, 21.413 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    | 46.618     | 46.618     | 46.618     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014919   | 0.014919   | 0.014919   |   0.0 |  0.03
Output  | 2.9485e-05 | 2.9485e-05 | 2.9485e-05 |   0.0 |  0.00
Modify  | 0.06243    | 0.06243    | 0.06243    |   0.0 |  0.13
Other   |            | 0.005315   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221610 ave      221610 max      221610 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221610
Ave neighs/atom = 110.805
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.859625493835, Press = 0.223450161479293
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10418.427     -10418.427     -10506.827     -10506.827      342.11875      342.11875      28027.008      28027.008      2524.035       2524.035     
    203000  -10423.42      -10423.42      -10510.267     -10510.267      336.1078       336.1078       27974.928      27974.928      4968.9231      4968.9231    
Loop time of 46.8483 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.844 ns/day, 13.013 hours/ns, 21.345 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    | 46.766     | 46.766     | 46.766     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014819   | 0.014819   | 0.014819   |   0.0 |  0.03
Output  | 5.7418e-05 | 5.7418e-05 | 5.7418e-05 |   0.0 |  0.00
Modify  | 0.062136   | 0.062136   | 0.062136   |   0.0 |  0.13
Other   |            | 0.005348   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221600 ave      221600 max      221600 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221600
Ave neighs/atom = 110.8
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.875650951576, Press = 0.0968821812791998
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10423.42      -10423.42      -10510.267     -10510.267      336.1078       336.1078       27974.928      27974.928      4968.9231      4968.9231    
    204000  -10418.811     -10418.811     -10507.091     -10507.091      341.6522       341.6522       28033.641      28033.641      2249.7415      2249.7415    
Loop time of 46.8366 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.845 ns/day, 13.010 hours/ns, 21.351 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.754     | 46.754     | 46.754     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014887   | 0.014887   | 0.014887   |   0.0 |  0.03
Output  | 5.6937e-05 | 5.6937e-05 | 5.6937e-05 |   0.0 |  0.00
Modify  | 0.062213   | 0.062213   | 0.062213   |   0.0 |  0.13
Other   |            | 0.005265   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221906 ave      221906 max      221906 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221906
Ave neighs/atom = 110.953
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.883676072221, Press = -0.030271451486006
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10418.811     -10418.811     -10507.091     -10507.091      341.6522       341.6522       28033.641      28033.641      2249.7415      2249.7415    
    205000  -10421.582     -10421.582     -10508.802     -10508.802      337.55193      337.55193      28060.99       28060.99       500.3813       500.3813     
Loop time of 46.6785 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.851 ns/day, 12.966 hours/ns, 21.423 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    | 46.596     | 46.596     | 46.596     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01492    | 0.01492    | 0.01492    |   0.0 |  0.03
Output  | 5.2539e-05 | 5.2539e-05 | 5.2539e-05 |   0.0 |  0.00
Modify  | 0.062287   | 0.062287   | 0.062287   |   0.0 |  0.13
Other   |            | 0.005363   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221642 ave      221642 max      221642 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221642
Ave neighs/atom = 110.821
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.882544032917, Press = -0.000735574690560386
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10421.582     -10421.582     -10508.802     -10508.802      337.55193      337.55193      28060.99       28060.99       500.3813       500.3813     
    206000  -10422.168     -10422.168     -10508.888     -10508.888      335.61632      335.61632      28073.9        28073.9       -330.99243     -330.99243    
Loop time of 46.7176 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.849 ns/day, 12.977 hours/ns, 21.405 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    | 46.635     | 46.635     | 46.635     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014929   | 0.014929   | 0.014929   |   0.0 |  0.03
Output  | 4.1648e-05 | 4.1648e-05 | 4.1648e-05 |   0.0 |  0.00
Modify  | 0.062404   | 0.062404   | 0.062404   |   0.0 |  0.13
Other   |            | 0.005284   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221630 ave      221630 max      221630 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221630
Ave neighs/atom = 110.815
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.885572231572, Press = -0.00367714484096903
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10422.168     -10422.168     -10508.888     -10508.888      335.61632      335.61632      28073.9        28073.9       -330.99243     -330.99243    
    207000  -10419.587     -10419.587     -10508.932     -10508.932      345.77461      345.77461      28092.278      28092.278     -926.23914     -926.23914    
Loop time of 46.6208 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.853 ns/day, 12.950 hours/ns, 21.450 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.538     | 46.538     | 46.538     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014988   | 0.014988   | 0.014988   |   0.0 |  0.03
Output  | 2.8754e-05 | 2.8754e-05 | 2.8754e-05 |   0.0 |  0.00
Modify  | 0.062374   | 0.062374   | 0.062374   |   0.0 |  0.13
Other   |            | 0.005268   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221512 ave      221512 max      221512 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221512
Ave neighs/atom = 110.756
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.902736447372, Press = -0.0359854419234596
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10419.587     -10419.587     -10508.932     -10508.932      345.77461      345.77461      28092.278      28092.278     -926.23914     -926.23914    
    208000  -10423.19      -10423.19      -10510.076     -10510.076      336.25957      336.25957      28127.718      28127.718     -3150.964      -3150.964     
Loop time of 46.6601 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.852 ns/day, 12.961 hours/ns, 21.432 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.578     | 46.578     | 46.578     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014966   | 0.014966   | 0.014966   |   0.0 |  0.03
Output  | 5.6767e-05 | 5.6767e-05 | 5.6767e-05 |   0.0 |  0.00
Modify  | 0.062239   | 0.062239   | 0.062239   |   0.0 |  0.13
Other   |            | 0.005269   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221526 ave      221526 max      221526 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221526
Ave neighs/atom = 110.763
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.911840793288, Press = -0.0645888713181612
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10423.19      -10423.19      -10510.076     -10510.076      336.25957      336.25957      28127.718      28127.718     -3150.964      -3150.964     
    209000  -10421.293     -10421.293     -10507.051     -10507.051      331.89298      331.89298      28126.88       28126.88      -3109.258      -3109.258     
Loop time of 46.6873 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.851 ns/day, 12.969 hours/ns, 21.419 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    | 46.605     | 46.605     | 46.605     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014919   | 0.014919   | 0.014919   |   0.0 |  0.03
Output  | 5.3931e-05 | 5.3931e-05 | 5.3931e-05 |   0.0 |  0.00
Modify  | 0.062425   | 0.062425   | 0.062425   |   0.0 |  0.13
Other   |            | 0.005334   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221374 ave      221374 max      221374 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221374
Ave neighs/atom = 110.687
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.919669956161, Press = 0.155121827433178
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10421.293     -10421.293     -10507.051     -10507.051      331.89298      331.89298      28126.88       28126.88      -3109.258      -3109.258     
    210000  -10425.613     -10425.613     -10512.169     -10512.169      334.97877      334.97877      28099.176      28099.176     -1923.9147     -1923.9147    
Loop time of 46.6812 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.851 ns/day, 12.967 hours/ns, 21.422 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    | 46.599     | 46.599     | 46.599     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014954   | 0.014954   | 0.014954   |   0.0 |  0.03
Output  | 4.9864e-05 | 4.9864e-05 | 4.9864e-05 |   0.0 |  0.00
Modify  | 0.062271   | 0.062271   | 0.062271   |   0.0 |  0.13
Other   |            | 0.005306   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221308 ave      221308 max      221308 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221308
Ave neighs/atom = 110.654
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.916444693589, Press = 0.307245872411389
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10425.613     -10425.613     -10512.169     -10512.169      334.97877      334.97877      28099.176      28099.176     -1923.9147     -1923.9147    
    211000  -10422.516     -10422.516     -10508.024     -10508.024      330.92455      330.92455      28085.057      28085.057     -863.38708     -863.38708    
Loop time of 46.746 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.848 ns/day, 12.985 hours/ns, 21.392 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    | 46.664     | 46.664     | 46.664     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014944   | 0.014944   | 0.014944   |   0.0 |  0.03
Output  | 2.8934e-05 | 2.8934e-05 | 2.8934e-05 |   0.0 |  0.00
Modify  | 0.062179   | 0.062179   | 0.062179   |   0.0 |  0.13
Other   |            | 0.005311   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221578 ave      221578 max      221578 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221578
Ave neighs/atom = 110.789
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.913966844591, Press = 0.326194992648803
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10422.516     -10422.516     -10508.024     -10508.024      330.92455      330.92455      28085.057      28085.057     -863.38708     -863.38708    
    212000  -10425.865     -10425.865     -10507.979     -10507.979      317.79177      317.79177      28062.184      28062.184      404.86356      404.86356    
Loop time of 46.8344 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.845 ns/day, 13.010 hours/ns, 21.352 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    | 46.752     | 46.752     | 46.752     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014907   | 0.014907   | 0.014907   |   0.0 |  0.03
Output  | 5.8139e-05 | 5.8139e-05 | 5.8139e-05 |   0.0 |  0.00
Modify  | 0.062273   | 0.062273   | 0.062273   |   0.0 |  0.13
Other   |            | 0.005281   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221372 ave      221372 max      221372 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221372
Ave neighs/atom = 110.686
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 = 332.904960734467, Press = 0.287911478757882
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10425.865     -10425.865     -10507.979     -10507.979      317.79177      317.79177      28062.184      28062.184      404.86356      404.86356    
    213000  -10422.888     -10422.888     -10509.001     -10509.001      333.267        333.267        28064.255      28064.255      102.347        102.347      
Loop time of 46.7768 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.847 ns/day, 12.994 hours/ns, 21.378 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    | 46.694     | 46.694     | 46.694     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014948   | 0.014948   | 0.014948   |   0.0 |  0.03
Output  | 5.8059e-05 | 5.8059e-05 | 5.8059e-05 |   0.0 |  0.00
Modify  | 0.062438   | 0.062438   | 0.062438   |   0.0 |  0.13
Other   |            | 0.005312   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221570 ave      221570 max      221570 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221570
Ave neighs/atom = 110.785
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.905348451168, Press = 0.200106040598701
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10422.888     -10422.888     -10509.001     -10509.001      333.267        333.267        28064.255      28064.255      102.347        102.347      
    214000  -10417.876     -10417.876     -10505.409     -10505.409      338.76454      338.76454      28068.324      28068.324      528.78042      528.78042    
Loop time of 46.6647 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.852 ns/day, 12.962 hours/ns, 21.429 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    | 46.582     | 46.582     | 46.582     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01494    | 0.01494    | 0.01494    |   0.0 |  0.03
Output  | 5.4212e-05 | 5.4212e-05 | 5.4212e-05 |   0.0 |  0.00
Modify  | 0.062458   | 0.062458   | 0.062458   |   0.0 |  0.13
Other   |            | 0.005295   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221576 ave      221576 max      221576 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221576
Ave neighs/atom = 110.788
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.918126795408, Press = 0.127463820435642
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10417.876     -10417.876     -10505.409     -10505.409      338.76454      338.76454      28068.324      28068.324      528.78042      528.78042    
    215000  -10423.309     -10423.309     -10510.401     -10510.401      337.05204      337.05204      28055.318      28055.318      609.28624      609.28624    
Loop time of 46.7173 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.849 ns/day, 12.977 hours/ns, 21.405 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    | 46.635     | 46.635     | 46.635     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014933   | 0.014933   | 0.014933   |   0.0 |  0.03
Output  | 4.3161e-05 | 4.3161e-05 | 4.3161e-05 |   0.0 |  0.00
Modify  | 0.06235    | 0.06235    | 0.06235    |   0.0 |  0.13
Other   |            | 0.005287   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221368 ave      221368 max      221368 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221368
Ave neighs/atom = 110.684
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 = 332.916872657528, Press = 0.101572716233564
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10423.309     -10423.309     -10510.401     -10510.401      337.05204      337.05204      28055.318      28055.318      609.28624      609.28624    
    216000  -10426.322     -10426.322     -10511.849     -10511.849      331.00085      331.00085      28033.466      28033.466      1653.8969      1653.8969    
Loop time of 46.8088 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.846 ns/day, 13.002 hours/ns, 21.364 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    | 46.726     | 46.726     | 46.726     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014943   | 0.014943   | 0.014943   |   0.0 |  0.03
Output  | 2.9225e-05 | 2.9225e-05 | 2.9225e-05 |   0.0 |  0.00
Modify  | 0.062421   | 0.062421   | 0.062421   |   0.0 |  0.13
Other   |            | 0.005288   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221496 ave      221496 max      221496 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221496
Ave neighs/atom = 110.748
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.912571297394, Press = -0.117051772820882
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10426.322     -10426.322     -10511.849     -10511.849      331.00085      331.00085      28033.466      28033.466      1653.8969      1653.8969    
    217000  -10421.586     -10421.586     -10508.983     -10508.983      338.23428      338.23428      28057.932      28057.932      568.60908      568.60908    
Loop time of 46.747 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.848 ns/day, 12.985 hours/ns, 21.392 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    | 46.664     | 46.664     | 46.664     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014923   | 0.014923   | 0.014923   |   0.0 |  0.03
Output  | 5.7788e-05 | 5.7788e-05 | 5.7788e-05 |   0.0 |  0.00
Modify  | 0.062358   | 0.062358   | 0.062358   |   0.0 |  0.13
Other   |            | 0.005296   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221844 ave      221844 max      221844 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221844
Ave neighs/atom = 110.922
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.903136493388, Press = -0.211532726274314
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10421.586     -10421.586     -10508.983     -10508.983      338.23428      338.23428      28057.932      28057.932      568.60908      568.60908    
    218000  -10421.082     -10421.082     -10507.713     -10507.713      335.27012      335.27012      28081.706      28081.706     -519.61329     -519.61329    
Loop time of 46.6017 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.854 ns/day, 12.945 hours/ns, 21.458 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    | 46.519     | 46.519     | 46.519     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014997   | 0.014997   | 0.014997   |   0.0 |  0.03
Output  | 5.5224e-05 | 5.5224e-05 | 5.5224e-05 |   0.0 |  0.00
Modify  | 0.062514   | 0.062514   | 0.062514   |   0.0 |  0.13
Other   |            | 0.0053     |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221546 ave      221546 max      221546 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221546
Ave neighs/atom = 110.773
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.904436319389, Press = -0.129867263583027
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10421.082     -10421.082     -10507.713     -10507.713      335.27012      335.27012      28081.706      28081.706     -519.61329     -519.61329    
    219000  -10426.603     -10426.603     -10510.377     -10510.377      324.21345      324.21345      28086.284      28086.284     -1203.85       -1203.85      
Loop time of 46.6154 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.853 ns/day, 12.949 hours/ns, 21.452 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    | 46.533     | 46.533     | 46.533     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014947   | 0.014947   | 0.014947   |   0.0 |  0.03
Output  | 5.0756e-05 | 5.0756e-05 | 5.0756e-05 |   0.0 |  0.00
Modify  | 0.062255   | 0.062255   | 0.062255   |   0.0 |  0.13
Other   |            | 0.005289   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221216 ave      221216 max      221216 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221216
Ave neighs/atom = 110.608
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 = 332.895844704822, Press = -0.00906136309137063
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10426.603     -10426.603     -10510.377     -10510.377      324.21345      324.21345      28086.284      28086.284     -1203.85       -1203.85      
    220000  -10421.658     -10421.658     -10509.707     -10509.707      340.7581       340.7581       28086.021      28086.021     -854.62879     -854.62879    
Loop time of 46.7758 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.847 ns/day, 12.993 hours/ns, 21.379 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    | 46.693     | 46.693     | 46.693     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014988   | 0.014988   | 0.014988   |   0.0 |  0.03
Output  | 2.9125e-05 | 2.9125e-05 | 2.9125e-05 |   0.0 |  0.00
Modify  | 0.062277   | 0.062277   | 0.062277   |   0.0 |  0.13
Other   |            | 0.005287   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221600 ave      221600 max      221600 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221600
Ave neighs/atom = 110.8
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.886039214725, Press = 0.124882893612062
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10421.658     -10421.658     -10509.707     -10509.707      340.7581       340.7581       28086.021      28086.021     -854.62879     -854.62879    
    221000  -10427.028     -10427.028     -10511.001     -10511.001      324.98502      324.98502      28065.813      28065.813     -57.296091     -57.296091    
Loop time of 46.7537 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.848 ns/day, 12.987 hours/ns, 21.389 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    | 46.671     | 46.671     | 46.671     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014949   | 0.014949   | 0.014949   |   0.0 |  0.03
Output  | 5.7659e-05 | 5.7659e-05 | 5.7659e-05 |   0.0 |  0.00
Modify  | 0.062322   | 0.062322   | 0.062322   |   0.0 |  0.13
Other   |            | 0.005283   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221556 ave      221556 max      221556 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221556
Ave neighs/atom = 110.778
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.876606566475, Press = 0.133131053987346
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10427.028     -10427.028     -10511.001     -10511.001      324.98502      324.98502      28065.813      28065.813     -57.296091     -57.296091    
    222000  -10421.732     -10421.732     -10508.898     -10508.898      337.34033      337.34033      28078.578      28078.578     -234.53881     -234.53881    
Loop time of 46.7782 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.847 ns/day, 12.994 hours/ns, 21.377 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    | 46.695     | 46.695     | 46.695     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014952   | 0.014952   | 0.014952   |   0.0 |  0.03
Output  | 5.9041e-05 | 5.9041e-05 | 5.9041e-05 |   0.0 |  0.00
Modify  | 0.062455   | 0.062455   | 0.062455   |   0.0 |  0.13
Other   |            | 0.005296   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221692 ave      221692 max      221692 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221692
Ave neighs/atom = 110.846
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.874817337379, Press = 0.108910158670036
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10421.732     -10421.732     -10508.898     -10508.898      337.34033      337.34033      28078.578      28078.578     -234.53881     -234.53881    
    223000  -10424.051     -10424.051     -10509.872     -10509.872      332.13607      332.13607      28072.782      28072.782     -166.8579      -166.8579     
Loop time of 46.7424 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.848 ns/day, 12.984 hours/ns, 21.394 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    | 46.66      | 46.66      | 46.66      |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015054   | 0.015054   | 0.015054   |   0.0 |  0.03
Output  | 5.5725e-05 | 5.5725e-05 | 5.5725e-05 |   0.0 |  0.00
Modify  | 0.062256   | 0.062256   | 0.062256   |   0.0 |  0.13
Other   |            | 0.005293   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221544 ave      221544 max      221544 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221544
Ave neighs/atom = 110.772
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.869374753545, Press = 0.0879044716056156
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10424.051     -10424.051     -10509.872     -10509.872      332.13607      332.13607      28072.782      28072.782     -166.8579      -166.8579     
    224000  -10421.599     -10421.599     -10508.612     -10508.612      336.74925      336.74925      28073.621      28073.621     -173.09627     -173.09627    
Loop time of 46.7582 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.848 ns/day, 12.988 hours/ns, 21.387 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    | 46.676     | 46.676     | 46.676     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014964   | 0.014964   | 0.014964   |   0.0 |  0.03
Output  | 4.4003e-05 | 4.4003e-05 | 4.4003e-05 |   0.0 |  0.00
Modify  | 0.0623     | 0.0623     | 0.0623     |   0.0 |  0.13
Other   |            | 0.005276   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221684 ave      221684 max      221684 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221684
Ave neighs/atom = 110.842
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.875316310904, Press = 0.134525609028377
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10421.599     -10421.599     -10508.612     -10508.612      336.74925      336.74925      28073.621      28073.621     -173.09627     -173.09627    
    225000  -10425.055     -10425.055     -10511.261     -10511.261      333.62806      333.62806      28056.284      28056.284      526.64152      526.64152    
Loop time of 46.7528 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.848 ns/day, 12.987 hours/ns, 21.389 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    | 46.67      | 46.67      | 46.67      |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014947   | 0.014947   | 0.014947   |   0.0 |  0.03
Output  | 2.8102e-05 | 2.8102e-05 | 2.8102e-05 |   0.0 |  0.00
Modify  | 0.062145   | 0.062145   | 0.062145   |   0.0 |  0.13
Other   |            | 0.005268   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221602 ave      221602 max      221602 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221602
Ave neighs/atom = 110.801
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.872954278396, Press = 0.131460313489902
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10425.055     -10425.055     -10511.261     -10511.261      333.62806      333.62806      28056.284      28056.284      526.64152      526.64152    
    226000  -10420.867     -10420.867     -10508.814     -10508.814      340.36525      340.36525      28049.255      28049.255      1158.2844      1158.2844    
Loop time of 46.7686 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.847 ns/day, 12.991 hours/ns, 21.382 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    | 46.686     | 46.686     | 46.686     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014914   | 0.014914   | 0.014914   |   0.0 |  0.03
Output  | 5.9611e-05 | 5.9611e-05 | 5.9611e-05 |   0.0 |  0.00
Modify  | 0.062151   | 0.062151   | 0.062151   |   0.0 |  0.13
Other   |            | 0.005276   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221764 ave      221764 max      221764 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221764
Ave neighs/atom = 110.882
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.866755188488, Press = 0.132773695959869
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10420.867     -10420.867     -10508.814     -10508.814      340.36525      340.36525      28049.255      28049.255      1158.2844      1158.2844    
    227000  -10423.742     -10423.742     -10509.816     -10509.816      333.11567      333.11567      28020.211      28020.211      2613.8814      2613.8814    
Loop time of 46.8195 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.845 ns/day, 13.005 hours/ns, 21.359 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    | 46.737     | 46.737     | 46.737     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015045   | 0.015045   | 0.015045   |   0.0 |  0.03
Output  | 5.6146e-05 | 5.6146e-05 | 5.6146e-05 |   0.0 |  0.00
Modify  | 0.062317   | 0.062317   | 0.062317   |   0.0 |  0.13
Other   |            | 0.00529    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221660 ave      221660 max      221660 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221660
Ave neighs/atom = 110.83
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.86104191605, Press = 0.0415896689740416
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10423.742     -10423.742     -10509.816     -10509.816      333.11567      333.11567      28020.211      28020.211      2613.8814      2613.8814    
    228000  -10425.157     -10425.157     -10509.921     -10509.921      328.04463      328.04463      28022.678      28022.678      2177.4532      2177.4532    
Loop time of 46.8157 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.846 ns/day, 13.004 hours/ns, 21.360 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    | 46.733     | 46.733     | 46.733     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014931   | 0.014931   | 0.014931   |   0.0 |  0.03
Output  | 4.8952e-05 | 4.8952e-05 | 4.8952e-05 |   0.0 |  0.00
Modify  | 0.062235   | 0.062235   | 0.062235   |   0.0 |  0.13
Other   |            | 0.005322   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221682 ave      221682 max      221682 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221682
Ave neighs/atom = 110.841
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.86466253573, Press = -0.184231813665648
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10425.157     -10425.157     -10509.921     -10509.921      328.04463      328.04463      28022.678      28022.678      2177.4532      2177.4532    
    229000  -10422.314     -10422.314     -10509.227     -10509.227      336.36442      336.36442      28056.134      28056.134      669.93476      669.93476    
Loop time of 46.736 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.849 ns/day, 12.982 hours/ns, 21.397 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    | 46.653     | 46.653     | 46.653     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01494    | 0.01494    | 0.01494    |   0.0 |  0.03
Output  | 2.8624e-05 | 2.8624e-05 | 2.8624e-05 |   0.0 |  0.00
Modify  | 0.06232    | 0.06232    | 0.06232    |   0.0 |  0.13
Other   |            | 0.005312   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221596 ave      221596 max      221596 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221596
Ave neighs/atom = 110.798
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.866087822633, Press = -0.161365131580799
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10422.314     -10422.314     -10509.227     -10509.227      336.36442      336.36442      28056.134      28056.134      669.93476      669.93476    
    230000  -10425.117     -10425.117     -10509.671     -10509.671      327.23539      327.23539      28072.206      28072.206     -322.66654     -322.66654    
Loop time of 46.7446 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.848 ns/day, 12.985 hours/ns, 21.393 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    | 46.662     | 46.662     | 46.662     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014988   | 0.014988   | 0.014988   |   0.0 |  0.03
Output  | 6.0434e-05 | 6.0434e-05 | 6.0434e-05 |   0.0 |  0.00
Modify  | 0.062255   | 0.062255   | 0.062255   |   0.0 |  0.13
Other   |            | 0.005299   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221638 ave      221638 max      221638 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221638
Ave neighs/atom = 110.819
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.865226878892, Press = -0.0625275183111381
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10425.117     -10425.117     -10509.671     -10509.671      327.23539      327.23539      28072.206      28072.206     -322.66654     -322.66654    
    231000  -10421.107     -10421.107     -10508.094     -10508.094      336.65217      336.65217      28082.785      28082.785     -633.70617     -633.70617    
Loop time of 46.6914 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.850 ns/day, 12.970 hours/ns, 21.417 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    | 46.609     | 46.609     | 46.609     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014926   | 0.014926   | 0.014926   |   0.0 |  0.03
Output  | 5.328e-05  | 5.328e-05  | 5.328e-05  |   0.0 |  0.00
Modify  | 0.062312   | 0.062312   | 0.062312   |   0.0 |  0.13
Other   |            | 0.005284   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221496 ave      221496 max      221496 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221496
Ave neighs/atom = 110.748
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.868203712531, Press = -0.0267244297512001
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10421.107     -10421.107     -10508.094     -10508.094      336.65217      336.65217      28082.785      28082.785     -633.70617     -633.70617    
    232000  -10422.694     -10422.694     -10507.358     -10507.358      327.65872      327.65872      28085.699      28085.699     -799.47403     -799.47403    
Loop time of 46.6815 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.851 ns/day, 12.967 hours/ns, 21.422 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    | 46.599     | 46.599     | 46.599     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014962   | 0.014962   | 0.014962   |   0.0 |  0.03
Output  | 5.276e-05  | 5.276e-05  | 5.276e-05  |   0.0 |  0.00
Modify  | 0.062373   | 0.062373   | 0.062373   |   0.0 |  0.13
Other   |            | 0.00528    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221438 ave      221438 max      221438 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221438
Ave neighs/atom = 110.719
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.882794664965, Press = -0.0569754181085764
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10422.694     -10422.694     -10507.358     -10507.358      327.65872      327.65872      28085.699      28085.699     -799.47403     -799.47403    
    233000  -10420.327     -10420.327     -10508.195     -10508.195      340.05827      340.05827      28117.046      28117.046     -2349.0227     -2349.0227    
Loop time of 46.661 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.852 ns/day, 12.961 hours/ns, 21.431 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    | 46.579     | 46.579     | 46.579     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014926   | 0.014926   | 0.014926   |   0.0 |  0.03
Output  | 4.4814e-05 | 4.4814e-05 | 4.4814e-05 |   0.0 |  0.00
Modify  | 0.062275   | 0.062275   | 0.062275   |   0.0 |  0.13
Other   |            | 0.00529    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221464 ave      221464 max      221464 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221464
Ave neighs/atom = 110.732
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.888485548983, Press = -0.0553370351400296
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10420.327     -10420.327     -10508.195     -10508.195      340.05827      340.05827      28117.046      28117.046     -2349.0227     -2349.0227    
    234000  -10422.059     -10422.059     -10507.518     -10507.518      330.73665      330.73665      28137.997      28137.997     -3726.8098     -3726.8098    
Loop time of 46.724 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.849 ns/day, 12.979 hours/ns, 21.402 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    | 46.641     | 46.641     | 46.641     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015046   | 0.015046   | 0.015046   |   0.0 |  0.03
Output  | 2.9165e-05 | 2.9165e-05 | 2.9165e-05 |   0.0 |  0.00
Modify  | 0.062338   | 0.062338   | 0.062338   |   0.0 |  0.13
Other   |            | 0.005278   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221336 ave      221336 max      221336 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221336
Ave neighs/atom = 110.668
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 = 332.90214686976, Press = 0.0908839915898275
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10422.059     -10422.059     -10507.518     -10507.518      330.73665      330.73665      28137.997      28137.997     -3726.8098     -3726.8098    
    235000  -10423.965     -10423.965     -10508.421     -10508.421      326.85537      326.85537      28099.205      28099.205     -1708.7821     -1708.7821    
Loop time of 46.7442 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.848 ns/day, 12.985 hours/ns, 21.393 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    | 46.661     | 46.661     | 46.661     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014963   | 0.014963   | 0.014963   |   0.0 |  0.03
Output  | 5.853e-05  | 5.853e-05  | 5.853e-05  |   0.0 |  0.00
Modify  | 0.062437   | 0.062437   | 0.062437   |   0.0 |  0.13
Other   |            | 0.005297   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221224 ave      221224 max      221224 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221224
Ave neighs/atom = 110.612
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 = 332.911163423524, Press = 0.200666483585384
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10423.965     -10423.965     -10508.421     -10508.421      326.85537      326.85537      28099.205      28099.205     -1708.7821     -1708.7821    
    236000  -10422.141     -10422.141     -10509.832     -10509.832      339.37241      339.37241      28077.248      28077.248     -625.18489     -625.18489    
Loop time of 46.7185 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.849 ns/day, 12.977 hours/ns, 21.405 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    | 46.636     | 46.636     | 46.636     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014943   | 0.014943   | 0.014943   |   0.0 |  0.03
Output  | 5.7548e-05 | 5.7548e-05 | 5.7548e-05 |   0.0 |  0.00
Modify  | 0.062274   | 0.062274   | 0.062274   |   0.0 |  0.13
Other   |            | 0.005423   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221262 ave      221262 max      221262 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221262
Ave neighs/atom = 110.631
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.923033836468, Press = 0.23553483365016
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10422.141     -10422.141     -10509.832     -10509.832      339.37241      339.37241      28077.248      28077.248     -625.18489     -625.18489    
    237000  -10422.838     -10422.838     -10507.849     -10507.849      329.00329      329.00329      28067.835      28067.835      1.3998902      1.3998902    
Loop time of 46.7983 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.846 ns/day, 13.000 hours/ns, 21.368 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    | 46.716     | 46.716     | 46.716     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014908   | 0.014908   | 0.014908   |   0.0 |  0.03
Output  | 4.8932e-05 | 4.8932e-05 | 4.8932e-05 |   0.0 |  0.00
Modify  | 0.062304   | 0.062304   | 0.062304   |   0.0 |  0.13
Other   |            | 0.005268   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221422 ave      221422 max      221422 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221422
Ave neighs/atom = 110.711
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.923592608732, Press = 0.209712921487171
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10422.838     -10422.838     -10507.849     -10507.849      329.00329      329.00329      28067.835      28067.835      1.3998902      1.3998902    
    238000  -10417.033     -10417.033     -10505.439     -10505.439      342.1395       342.1395       28068.336      28068.336      492.15339      492.15339    
Loop time of 46.7945 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.846 ns/day, 12.998 hours/ns, 21.370 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.712     | 46.712     | 46.712     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014992   | 0.014992   | 0.014992   |   0.0 |  0.03
Output  | 3.0447e-05 | 3.0447e-05 | 3.0447e-05 |   0.0 |  0.00
Modify  | 0.062339   | 0.062339   | 0.062339   |   0.0 |  0.13
Other   |            | 0.005327   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221422 ave      221422 max      221422 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221422
Ave neighs/atom = 110.711
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.930053419482, Press = 0.161367396391088
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10417.033     -10417.033     -10505.439     -10505.439      342.1395       342.1395       28068.336      28068.336      492.15339      492.15339    
    239000  -10423.035     -10423.035     -10508.152     -10508.152      329.41347      329.41347      28020.786      28020.786      2534.6421      2534.6421    
Loop time of 46.5878 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.855 ns/day, 12.941 hours/ns, 21.465 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    | 46.505     | 46.505     | 46.505     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015047   | 0.015047   | 0.015047   |   0.0 |  0.03
Output  | 5.9191e-05 | 5.9191e-05 | 5.9191e-05 |   0.0 |  0.00
Modify  | 0.062365   | 0.062365   | 0.062365   |   0.0 |  0.13
Other   |            | 0.005264   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221366 ave      221366 max      221366 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221366
Ave neighs/atom = 110.683
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 = 332.944105651657, Press = 0.207543405970254
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10423.035     -10423.035     -10508.152     -10508.152      329.41347      329.41347      28020.786      28020.786      2534.6421      2534.6421    
    240000  -10419.569     -10419.569     -10508.773     -10508.773      345.23071      345.23071      28007.024      28007.024      3436.2378      3436.2378    
Loop time of 46.7073 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.850 ns/day, 12.974 hours/ns, 21.410 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    | 46.625     | 46.625     | 46.625     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014949   | 0.014949   | 0.014949   |   0.0 |  0.03
Output  | 5.7358e-05 | 5.7358e-05 | 5.7358e-05 |   0.0 |  0.00
Modify  | 0.062387   | 0.062387   | 0.062387   |   0.0 |  0.13
Other   |            | 0.005298   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221624 ave      221624 max      221624 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221624
Ave neighs/atom = 110.812
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.948263120961, Press = 0.11426729205517
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 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  -10419.569     -10419.569     -10508.773     -10508.773      345.23071      345.23071      28007.024      28007.024      3436.2378      3436.2378    
    241000  -10425.364     -10425.364     -10511.871     -10511.871      334.78769      334.78769      28026.837      28026.837      1903.8327      1903.8327    
Loop time of 46.8931 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.842 ns/day, 13.026 hours/ns, 21.325 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    | 46.81      | 46.81      | 46.81      |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014918   | 0.014918   | 0.014918   |   0.0 |  0.03
Output  | 3.0978e-05 | 3.0978e-05 | 3.0978e-05 |   0.0 |  0.00
Modify  | 0.06232    | 0.06232    | 0.06232    |   0.0 |  0.13
Other   |            | 0.005396   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       221768 ave      221768 max      221768 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 221768
Ave neighs/atom = 110.884
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
jump SELF break

# Write final averaged volume to file if temperature and volume have converged; otherwise wirte a
# flag to indicate non-convergence.
variable      myStep equal step
if "${myStep} < 2000000" then "print '${V}'  file output/vol_T333.15.out"  else  "print 'not_converged'  file output/vol_T333.15.out"
print '${V}'  file output/vol_T333.15.out
28070.2627287254

print "LAMMPS calculation completed"
LAMMPS calculation completed
quit 0