# 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 3.5564776659011836*${_u_distance}
variable latticeconst_converted equal 3.5564776659011836*1
lattice       diamond  ${latticeconst_converted}
lattice       diamond  3.55647766590118
Lattice spacing in x,y,z = 3.5564777 3.5564777 3.5564777
region        simbox  block 0 10 0 10 0 10 units lattice
create_box    1 simbox
Created orthogonal box = (0 0 0) to (35.564777 35.564777 35.564777)
  1 by 1 by 1 MPI processor grid
create_atoms  1 box
Created 8000 atoms
  using lattice units in orthogonal box = (0 0 0) to (35.564777 35.564777 35.564777)
  create_atoms CPU = 0.001 seconds

variable mass_converted equal 12.0107*${_u_mass}
variable mass_converted equal 12.0107*1

kim_interactions C

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

kim interactions C
#=== BEGIN kim interactions ==================================
pair_style kim MEAM_LAMMPS_LeeLee_2005_C__MO_996970420049_001
pair_coeff * * C
#=== END kim interactions ====================================


mass          1 ${mass_converted}
mass          1 12.0107

# initial volume
variable      v equal vol        # assign formula
variable      V0 equal ${v}    # evaluate initial value
variable      V0 equal 44984.2265010191    
variable      V0_metal equal ${V0}/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 44984.2265010191/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 44984.2265010191/(1*${_u_distance}*${_u_distance})
variable      V0_metal equal 44984.2265010191/(1*1*${_u_distance})
variable      V0_metal equal 44984.2265010191/(1*1*1)
variable      V0_metal_times1000 equal ${V0_metal}*1000
variable      V0_metal_times1000 equal 44984.2265010191*1000

print "Initial system volume: ${V0_metal} Angstroms^3"
Initial system volume: 44984.2265010191 Angstroms^3

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

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

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

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

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

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

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

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

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

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

Your simulation uses code contributions which should be cited:

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

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

- OpenKIM potential: https://openkim.org/cite/MO_996970420049_001#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 = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.652 | 8.652 | 8.652 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
         0  -58698.255     -58698.255     -58960         -58960          253.15         253.15         44984.227      44984.227      6214.9466      6214.9466    
      1000  -58413.98      -58413.98      -58673.076     -58673.076      250.58858      250.58858      45267.945      45267.945     -1354.3588     -1354.3588    
Loop time of 27.9932 on 1 procs for 1000 steps with 8000 atoms

Performance: 3.086 ns/day, 7.776 hours/ns, 35.723 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 27.688     | 27.688     | 27.688     |   0.0 | 98.91
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035081   | 0.035081   | 0.035081   |   0.0 |  0.13
Output  | 0.00023722 | 0.00023722 | 0.00023722 |   0.0 |  0.00
Modify  | 0.24467    | 0.24467    | 0.24467    |   0.0 |  0.87
Other   |            | 0.02548    |            |       |  0.09

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       688000 ave      688000 max      688000 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688000
Ave neighs/atom = 86
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 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 = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
      1000  -58413.98      -58413.98      -58673.076     -58673.076      250.58858      250.58858      45267.945      45267.945     -1354.3588     -1354.3588    
      2000  -58440.74      -58440.74      -58694.815     -58694.815      245.7317       245.7317       45245.981      45245.981     -808.92554     -808.92554    
Loop time of 31.6153 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.733 ns/day, 8.782 hours/ns, 31.630 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.314     | 31.314     | 31.314     |   0.0 | 99.05
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034496   | 0.034496   | 0.034496   |   0.0 |  0.11
Output  | 0.00013295 | 0.00013295 | 0.00013295 |   0.0 |  0.00
Modify  | 0.24257    | 0.24257    | 0.24257    |   0.0 |  0.77
Other   |            | 0.02379    |            |       |  0.08

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687814 ave      687814 max      687814 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687814
Ave neighs/atom = 85.97675
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
      2000  -58440.74      -58440.74      -58694.815     -58694.815      245.7317       245.7317       45245.981      45245.981     -808.92554     -808.92554    
      3000  -58429.814     -58429.814     -58691.632     -58691.632      253.22098      253.22098      45228.841      45228.841      1279.3602      1279.3602    
Loop time of 31.7569 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.721 ns/day, 8.821 hours/ns, 31.489 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.457     | 31.457     | 31.457     |   0.0 | 99.05
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03451    | 0.03451    | 0.03451    |   0.0 |  0.11
Output  | 0.00011852 | 0.00011852 | 0.00011852 |   0.0 |  0.00
Modify  | 0.24165    | 0.24165    | 0.24165    |   0.0 |  0.76
Other   |            | 0.0239     |            |       |  0.08

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687904 ave      687904 max      687904 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687904
Ave neighs/atom = 85.988
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
      3000  -58429.814     -58429.814     -58691.632     -58691.632      253.22098      253.22098      45228.841      45228.841      1279.3602      1279.3602    
      4000  -58431.821     -58431.821     -58697.407     -58697.407      256.86531      256.86531      45244.472      45244.472     -673.74376     -673.74376    
Loop time of 31.7628 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.720 ns/day, 8.823 hours/ns, 31.483 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.463     | 31.463     | 31.463     |   0.0 | 99.05
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034524   | 0.034524   | 0.034524   |   0.0 |  0.11
Output  | 7.992e-05  | 7.992e-05  | 7.992e-05  |   0.0 |  0.00
Modify  | 0.24173    | 0.24173    | 0.24173    |   0.0 |  0.76
Other   |            | 0.02383    |            |       |  0.08

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687920 ave      687920 max      687920 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687920
Ave neighs/atom = 85.99
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
      4000  -58431.821     -58431.821     -58697.407     -58697.407      256.86531      256.86531      45244.472      45244.472     -673.74376     -673.74376    
      5000  -58436.266     -58436.266     -58695.165     -58695.165      250.39738      250.39738      45254.697      45254.697     -1636.8948     -1636.8948    
Loop time of 31.7673 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.720 ns/day, 8.824 hours/ns, 31.479 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.466     | 31.466     | 31.466     |   0.0 | 99.05
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034463   | 0.034463   | 0.034463   |   0.0 |  0.11
Output  | 8.4458e-05 | 8.4458e-05 | 8.4458e-05 |   0.0 |  0.00
Modify  | 0.24296    | 0.24296    | 0.24296    |   0.0 |  0.76
Other   |            | 0.02356    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687882 ave      687882 max      687882 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687882
Ave neighs/atom = 85.98525
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.761061978949, Press = -54.1710312066427
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
      5000  -58436.266     -58436.266     -58695.165     -58695.165      250.39738      250.39738      45254.697      45254.697     -1636.8948     -1636.8948    
      6000  -58427.707     -58427.707     -58692.575     -58692.575      256.17029      256.17029      45207.705      45207.705      3331.9829      3331.9829    
Loop time of 31.701 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.725 ns/day, 8.806 hours/ns, 31.545 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.393     | 31.393     | 31.393     |   0.0 | 99.03
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034441   | 0.034441   | 0.034441   |   0.0 |  0.11
Output  | 5.9602e-05 | 5.9602e-05 | 5.9602e-05 |   0.0 |  0.00
Modify  | 0.25       | 0.25       | 0.25       |   0.0 |  0.79
Other   |            | 0.02356    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687926 ave      687926 max      687926 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687926
Ave neighs/atom = 85.99075
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.854751795104, Press = -1.0022689829557
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.904 | 8.904 | 8.904 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
      6000  -58427.707     -58427.707     -58692.575     -58692.575      256.17029      256.17029      45207.705      45207.705      3331.9829      3331.9829    
      7000  -58437.373     -58437.373     -58695.545     -58695.545      249.69484      249.69484      45236.382      45236.382      90.633027      90.633027    
Loop time of 31.3347 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.757 ns/day, 8.704 hours/ns, 31.913 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.027     | 31.027     | 31.027     |   0.0 | 99.02
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033986   | 0.033986   | 0.033986   |   0.0 |  0.11
Output  | 8.3307e-05 | 8.3307e-05 | 8.3307e-05 |   0.0 |  0.00
Modify  | 0.25042    | 0.25042    | 0.25042    |   0.0 |  0.80
Other   |            | 0.02337    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687876 ave      687876 max      687876 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687876
Ave neighs/atom = 85.9845
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.010671886713, Press = 53.6424522115954
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
      7000  -58437.373     -58437.373     -58695.545     -58695.545      249.69484      249.69484      45236.382      45236.382      90.633027      90.633027    
      8000  -58429.487     -58429.487     -58694.631     -58694.631      256.43752      256.43752      45256.048      45256.048     -1592.196      -1592.196     
Loop time of 31.7581 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.721 ns/day, 8.822 hours/ns, 31.488 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.45      | 31.45      | 31.45      |   0.0 | 99.03
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034475   | 0.034475   | 0.034475   |   0.0 |  0.11
Output  | 5.7428e-05 | 5.7428e-05 | 5.7428e-05 |   0.0 |  0.00
Modify  | 0.25021    | 0.25021    | 0.25021    |   0.0 |  0.79
Other   |            | 0.02327    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687900 ave      687900 max      687900 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687900
Ave neighs/atom = 85.9875
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.117494186261, Press = 1.30423716883531
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
      8000  -58429.487     -58429.487     -58694.631     -58694.631      256.43752      256.43752      45256.048      45256.048     -1592.196      -1592.196     
      9000  -58433.67      -58433.67      -58693.077     -58693.077      250.88912      250.88912      45228.884      45228.884      1101.9952      1101.9952    
Loop time of 31.755 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.721 ns/day, 8.821 hours/ns, 31.491 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.446     | 31.446     | 31.446     |   0.0 | 99.03
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034272   | 0.034272   | 0.034272   |   0.0 |  0.11
Output  | 9.7744e-05 | 9.7744e-05 | 9.7744e-05 |   0.0 |  0.00
Modify  | 0.25074    | 0.25074    | 0.25074    |   0.0 |  0.79
Other   |            | 0.02395    |            |       |  0.08

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687896 ave      687896 max      687896 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687896
Ave neighs/atom = 85.987
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.040544861204, Press = 4.96540427140329
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
      9000  -58433.67      -58433.67      -58693.077     -58693.077      250.88912      250.88912      45228.884      45228.884      1101.9952      1101.9952    
     10000  -58435.559     -58435.559     -58697.41      -58697.41       253.25233      253.25233      45239.164      45239.164     -187.19541     -187.19541    
Loop time of 31.7097 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.725 ns/day, 8.808 hours/ns, 31.536 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.401     | 31.401     | 31.401     |   0.0 | 99.03
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034383   | 0.034383   | 0.034383   |   0.0 |  0.11
Output  | 6.3159e-05 | 6.3159e-05 | 6.3159e-05 |   0.0 |  0.00
Modify  | 0.25055    | 0.25055    | 0.25055    |   0.0 |  0.79
Other   |            | 0.02358    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687870 ave      687870 max      687870 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687870
Ave neighs/atom = 85.98375
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.125933484244, Press = 9.62382348235752
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     10000  -58435.559     -58435.559     -58697.41      -58697.41       253.25233      253.25233      45239.164      45239.164     -187.19541     -187.19541    
     11000  -58427.913     -58427.913     -58691.773     -58691.773      255.19534      255.19534      45253.906      45253.906     -1158.3731     -1158.3731    
Loop time of 31.7695 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.720 ns/day, 8.825 hours/ns, 31.477 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.46      | 31.46      | 31.46      |   0.0 | 99.02
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03448    | 0.03448    | 0.03448    |   0.0 |  0.11
Output  | 9.1362e-05 | 9.1362e-05 | 9.1362e-05 |   0.0 |  0.00
Modify  | 0.2511     | 0.2511     | 0.2511     |   0.0 |  0.79
Other   |            | 0.02411    |            |       |  0.08

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687912 ave      687912 max      687912 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687912
Ave neighs/atom = 85.989
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.108402581206, Press = 0.496960042238775
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     11000  -58427.913     -58427.913     -58691.773     -58691.773      255.19534      255.19534      45253.906      45253.906     -1158.3731     -1158.3731    
     12000  -58434.499     -58434.499     -58695.487     -58695.487      252.41851      252.41851      45212.88       45212.88       2451.5098      2451.5098    
Loop time of 31.7102 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.725 ns/day, 8.808 hours/ns, 31.536 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.401     | 31.401     | 31.401     |   0.0 | 99.02
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034363   | 0.034363   | 0.034363   |   0.0 |  0.11
Output  | 6.7296e-05 | 6.7296e-05 | 6.7296e-05 |   0.0 |  0.00
Modify  | 0.25117    | 0.25117    | 0.25117    |   0.0 |  0.79
Other   |            | 0.02402    |            |       |  0.08

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687864 ave      687864 max      687864 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687864
Ave neighs/atom = 85.983
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.225226254619, Press = 2.34312248623331
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.904 | 8.904 | 8.904 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     12000  -58434.499     -58434.499     -58695.487     -58695.487      252.41851      252.41851      45212.88       45212.88       2451.5098      2451.5098    
     13000  -58434.28      -58434.28      -58695.643     -58695.643      252.78058      252.78058      45244.053      45244.053     -605.14197     -605.14197    
Loop time of 31.3025 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.760 ns/day, 8.695 hours/ns, 31.946 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 30.993     | 30.993     | 30.993     |   0.0 | 99.01
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034327   | 0.034327   | 0.034327   |   0.0 |  0.11
Output  | 9.078e-05  | 9.078e-05  | 9.078e-05  |   0.0 |  0.00
Modify  | 0.25074    | 0.25074    | 0.25074    |   0.0 |  0.80
Other   |            | 0.02393    |            |       |  0.08

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687912 ave      687912 max      687912 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687912
Ave neighs/atom = 85.989
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.299130959641, Press = 11.3916117220651
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     13000  -58434.28      -58434.28      -58695.643     -58695.643      252.78058      252.78058      45244.053      45244.053     -605.14197     -605.14197    
     14000  -58431.342     -58431.342     -58694.178     -58694.178      254.20524      254.20524      45265.648      45265.648     -2513.0707     -2513.0707    
Loop time of 31.7274 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.723 ns/day, 8.813 hours/ns, 31.518 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.418     | 31.418     | 31.418     |   0.0 | 99.03
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034377   | 0.034377   | 0.034377   |   0.0 |  0.11
Output  | 5.7137e-05 | 5.7137e-05 | 5.7137e-05 |   0.0 |  0.00
Modify  | 0.25101    | 0.25101    | 0.25101    |   0.0 |  0.79
Other   |            | 0.02386    |            |       |  0.08

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687886 ave      687886 max      687886 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687886
Ave neighs/atom = 85.98575
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.273794720797, Press = -2.03741789478227
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     14000  -58431.342     -58431.342     -58694.178     -58694.178      254.20524      254.20524      45265.648      45265.648     -2513.0707     -2513.0707    
     15000  -58435.026     -58435.026     -58696.842     -58696.842      253.21878      253.21878      45212.583      45212.583      2432.9701      2432.9701    
Loop time of 31.7833 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.718 ns/day, 8.829 hours/ns, 31.463 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.474     | 31.474     | 31.474     |   0.0 | 99.03
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034603   | 0.034603   | 0.034603   |   0.0 |  0.11
Output  | 9.2033e-05 | 9.2033e-05 | 9.2033e-05 |   0.0 |  0.00
Modify  | 0.25095    | 0.25095    | 0.25095    |   0.0 |  0.79
Other   |            | 0.02388    |            |       |  0.08

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687880 ave      687880 max      687880 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687880
Ave neighs/atom = 85.985
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.258192149387, Press = 0.678983890479169
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.904 | 8.904 | 8.904 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     15000  -58435.026     -58435.026     -58696.842     -58696.842      253.21878      253.21878      45212.583      45212.583      2432.9701      2432.9701    
     16000  -58432.338     -58432.338     -58691.827     -58691.827      250.96756      250.96756      45241.419      45241.419     -115.36102     -115.36102    
Loop time of 31.3703 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.754 ns/day, 8.714 hours/ns, 31.877 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.062     | 31.062     | 31.062     |   0.0 | 99.02
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034123   | 0.034123   | 0.034123   |   0.0 |  0.11
Output  | 5.6526e-05 | 5.6526e-05 | 5.6526e-05 |   0.0 |  0.00
Modify  | 0.25082    | 0.25082    | 0.25082    |   0.0 |  0.80
Other   |            | 0.02346    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687928 ave      687928 max      687928 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687928
Ave neighs/atom = 85.991
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.355139966747, Press = 7.16660170815116
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     16000  -58432.338     -58432.338     -58691.827     -58691.827      250.96756      250.96756      45241.419      45241.419     -115.36102     -115.36102    
     17000  -58429.05      -58429.05      -58697.422     -58697.422      259.55938      259.55938      45260.63       45260.63      -2155.5655     -2155.5655    
Loop time of 31.7601 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.720 ns/day, 8.822 hours/ns, 31.486 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.452     | 31.452     | 31.452     |   0.0 | 99.03
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034334   | 0.034334   | 0.034334   |   0.0 |  0.11
Output  | 9.1943e-05 | 9.1943e-05 | 9.1943e-05 |   0.0 |  0.00
Modify  | 0.25023    | 0.25023    | 0.25023    |   0.0 |  0.79
Other   |            | 0.02364    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687860 ave      687860 max      687860 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687860
Ave neighs/atom = 85.9825
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.358067582451, Press = -0.760676177809501
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     17000  -58429.05      -58429.05      -58697.422     -58697.422      259.55938      259.55938      45260.63       45260.63      -2155.5655     -2155.5655    
     18000  -58431.903     -58431.903     -58695.621     -58695.621      255.05831      255.05831      45210.824      45210.824      2723.894       2723.894     
Loop time of 31.7471 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.722 ns/day, 8.819 hours/ns, 31.499 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.437     | 31.437     | 31.437     |   0.0 | 99.02
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034547   | 0.034547   | 0.034547   |   0.0 |  0.11
Output  | 8.1253e-05 | 8.1253e-05 | 8.1253e-05 |   0.0 |  0.00
Modify  | 0.25129    | 0.25129    | 0.25129    |   0.0 |  0.79
Other   |            | 0.02397    |            |       |  0.08

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687892 ave      687892 max      687892 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687892
Ave neighs/atom = 85.9865
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.450047162463, Press = 0.738359619105744
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.904 | 8.904 | 8.904 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     18000  -58431.903     -58431.903     -58695.621     -58695.621      255.05831      255.05831      45210.824      45210.824      2723.894       2723.894     
     19000  -58430.702     -58430.702     -58693.85      -58693.85       254.50793      254.50793      45246.658      45246.658     -675.09794     -675.09794    
Loop time of 31.3646 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.755 ns/day, 8.712 hours/ns, 31.883 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.055     | 31.055     | 31.055     |   0.0 | 99.01
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034177   | 0.034177   | 0.034177   |   0.0 |  0.11
Output  | 5.6766e-05 | 5.6766e-05 | 5.6766e-05 |   0.0 |  0.00
Modify  | 0.25102    | 0.25102    | 0.25102    |   0.0 |  0.80
Other   |            | 0.0239     |            |       |  0.08

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687870 ave      687870 max      687870 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687870
Ave neighs/atom = 85.98375
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.462298701094, Press = 8.50310352192611
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     19000  -58430.702     -58430.702     -58693.85      -58693.85       254.50793      254.50793      45246.658      45246.658     -675.09794     -675.09794    
     20000  -58435.999     -58435.999     -58695.551     -58695.551      251.02975      251.02975      45260.211      45260.211     -2166.3913     -2166.3913    
Loop time of 31.7524 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.721 ns/day, 8.820 hours/ns, 31.494 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.443     | 31.443     | 31.443     |   0.0 | 99.03
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034345   | 0.034345   | 0.034345   |   0.0 |  0.11
Output  | 9.6361e-05 | 9.6361e-05 | 9.6361e-05 |   0.0 |  0.00
Modify  | 0.25118    | 0.25118    | 0.25118    |   0.0 |  0.79
Other   |            | 0.02371    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687884 ave      687884 max      687884 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687884
Ave neighs/atom = 85.9855
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.468952240125, Press = -1.06256286388571
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     20000  -58435.999     -58435.999     -58695.551     -58695.551      251.02975      251.02975      45260.211      45260.211     -2166.3913     -2166.3913    
     21000  -58430.304     -58430.304     -58692.235     -58692.235      253.33062      253.33062      45224.358      45224.358      1632.5528      1632.5528    
Loop time of 31.7722 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.719 ns/day, 8.826 hours/ns, 31.474 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.463     | 31.463     | 31.463     |   0.0 | 99.03
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034401   | 0.034401   | 0.034401   |   0.0 |  0.11
Output  | 5.9712e-05 | 5.9712e-05 | 5.9712e-05 |   0.0 |  0.00
Modify  | 0.25088    | 0.25088    | 0.25088    |   0.0 |  0.79
Other   |            | 0.02371    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687878 ave      687878 max      687878 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687878
Ave neighs/atom = 85.98475
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.474506093672, Press = 1.42819456278968
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     21000  -58430.304     -58430.304     -58692.235     -58692.235      253.33062      253.33062      45224.358      45224.358      1632.5528      1632.5528    
     22000  -58425.355     -58425.355     -58691.73      -58691.73       257.62764      257.62764      45247.248      45247.248     -488.01011     -488.01011    
Loop time of 31.7442 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.722 ns/day, 8.818 hours/ns, 31.502 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.435     | 31.435     | 31.435     |   0.0 | 99.03
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034436   | 0.034436   | 0.034436   |   0.0 |  0.11
Output  | 8.9237e-05 | 8.9237e-05 | 8.9237e-05 |   0.0 |  0.00
Modify  | 0.25102    | 0.25102    | 0.25102    |   0.0 |  0.79
Other   |            | 0.02379    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687898 ave      687898 max      687898 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687898
Ave neighs/atom = 85.98725
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.455896233917, Press = 2.91161064768873
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     22000  -58425.355     -58425.355     -58691.73      -58691.73       257.62764      257.62764      45247.248      45247.248     -488.01011     -488.01011    
     23000  -58433.725     -58433.725     -58695.392     -58695.392      253.07508      253.07508      45248.14       45248.14      -972.55015     -972.55015    
Loop time of 31.6976 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.726 ns/day, 8.805 hours/ns, 31.548 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.389     | 31.389     | 31.389     |   0.0 | 99.03
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034354   | 0.034354   | 0.034354   |   0.0 |  0.11
Output  | 5.838e-05  | 5.838e-05  | 5.838e-05  |   0.0 |  0.00
Modify  | 0.25068    | 0.25068    | 0.25068    |   0.0 |  0.79
Other   |            | 0.02353    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687864 ave      687864 max      687864 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687864
Ave neighs/atom = 85.983
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.48848397781, Press = 0.105983724318844
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     23000  -58433.725     -58433.725     -58695.392     -58695.392      253.07508      253.07508      45248.14       45248.14      -972.55015     -972.55015    
     24000  -58431.675     -58431.675     -58693.245     -58693.245      252.98026      252.98026      45200.038      45200.038      3912.4904      3912.4904    
Loop time of 31.6948 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.726 ns/day, 8.804 hours/ns, 31.551 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.386     | 31.386     | 31.386     |   0.0 | 99.02
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034631   | 0.034631   | 0.034631   |   0.0 |  0.11
Output  | 9.4377e-05 | 9.4377e-05 | 9.4377e-05 |   0.0 |  0.00
Modify  | 0.25077    | 0.25077    | 0.25077    |   0.0 |  0.79
Other   |            | 0.02369    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687902 ave      687902 max      687902 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687902
Ave neighs/atom = 85.98775
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.477790737744, Press = 0.892945706175115
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.904 | 8.904 | 8.904 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     24000  -58431.675     -58431.675     -58693.245     -58693.245      252.98026      252.98026      45200.038      45200.038      3912.4904      3912.4904    
     25000  -58439.941     -58439.941     -58697.745     -58697.745      249.33853      249.33853      45246.564      45246.564     -964.43533     -964.43533    
Loop time of 31.3653 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.755 ns/day, 8.713 hours/ns, 31.882 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.056     | 31.056     | 31.056     |   0.0 | 99.01
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034289   | 0.034289   | 0.034289   |   0.0 |  0.11
Output  | 5.4763e-05 | 5.4763e-05 | 5.4763e-05 |   0.0 |  0.00
Modify  | 0.25116    | 0.25116    | 0.25116    |   0.0 |  0.80
Other   |            | 0.0237     |            |       |  0.08

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687906 ave      687906 max      687906 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687906
Ave neighs/atom = 85.98825
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.419435723173, Press = 5.1278561201342
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     25000  -58439.941     -58439.941     -58697.745     -58697.745      249.33853      249.33853      45246.564      45246.564     -964.43533     -964.43533    
     26000  -58434.243     -58434.243     -58697.81      -58697.81       254.91212      254.91212      45254.138      45254.138     -1694.2993     -1694.2993    
Loop time of 31.7392 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.722 ns/day, 8.816 hours/ns, 31.507 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.43      | 31.43      | 31.43      |   0.0 | 99.03
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034392   | 0.034392   | 0.034392   |   0.0 |  0.11
Output  | 8.6593e-05 | 8.6593e-05 | 8.6593e-05 |   0.0 |  0.00
Modify  | 0.2512     | 0.2512     | 0.2512     |   0.0 |  0.79
Other   |            | 0.02361    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687916 ave      687916 max      687916 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687916
Ave neighs/atom = 85.9895
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.410461981635, Press = -0.568717518751161
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     26000  -58434.243     -58434.243     -58697.81      -58697.81       254.91212      254.91212      45254.138      45254.138     -1694.2993     -1694.2993    
     27000  -58432.441     -58432.441     -58695.599     -58695.599      254.51722      254.51722      45222.15       45222.15       1591.7374      1591.7374    
Loop time of 31.754 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.721 ns/day, 8.821 hours/ns, 31.492 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.445     | 31.445     | 31.445     |   0.0 | 99.03
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03439    | 0.03439    | 0.03439    |   0.0 |  0.11
Output  | 5.5805e-05 | 5.5805e-05 | 5.5805e-05 |   0.0 |  0.00
Modify  | 0.25039    | 0.25039    | 0.25039    |   0.0 |  0.79
Other   |            | 0.02365    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687902 ave      687902 max      687902 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687902
Ave neighs/atom = 85.98775
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.410036560594, Press = 1.06419258223153
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     27000  -58432.441     -58432.441     -58695.599     -58695.599      254.51722      254.51722      45222.15       45222.15       1591.7374      1591.7374    
     28000  -58432.868     -58432.868     -58692.691     -58692.691      251.29095      251.29095      45242.391      45242.391     -211.7508      -211.7508     
Loop time of 31.702 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.725 ns/day, 8.806 hours/ns, 31.544 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.393     | 31.393     | 31.393     |   0.0 | 99.03
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034309   | 0.034309   | 0.034309   |   0.0 |  0.11
Output  | 9.4318e-05 | 9.4318e-05 | 9.4318e-05 |   0.0 |  0.00
Modify  | 0.25097    | 0.25097    | 0.25097    |   0.0 |  0.79
Other   |            | 0.0236     |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687912 ave      687912 max      687912 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687912
Ave neighs/atom = 85.989
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.446777172409, Press = 2.59498244911421
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     28000  -58432.868     -58432.868     -58692.691     -58692.691      251.29095      251.29095      45242.391      45242.391     -211.7508      -211.7508     
     29000  -58434.869     -58434.869     -58693.117     -58693.117      249.76734      249.76734      45253.226      45253.226     -1329.2874     -1329.2874    
Loop time of 31.681 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.727 ns/day, 8.800 hours/ns, 31.565 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.372     | 31.372     | 31.372     |   0.0 | 99.03
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03431    | 0.03431    | 0.03431    |   0.0 |  0.11
Output  | 6.2698e-05 | 6.2698e-05 | 6.2698e-05 |   0.0 |  0.00
Modify  | 0.25086    | 0.25086    | 0.25086    |   0.0 |  0.79
Other   |            | 0.02359    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687900 ave      687900 max      687900 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687900
Ave neighs/atom = 85.9875
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.462767576169, Press = -0.290378643429364
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     29000  -58434.869     -58434.869     -58693.117     -58693.117      249.76734      249.76734      45253.226      45253.226     -1329.2874     -1329.2874    
     30000  -58429.487     -58429.487     -58693.043     -58693.043      254.90216      254.90216      45197.741      45197.741      4196.6192      4196.6192    
Loop time of 31.7224 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.724 ns/day, 8.812 hours/ns, 31.523 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.413     | 31.413     | 31.413     |   0.0 | 99.03
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034391   | 0.034391   | 0.034391   |   0.0 |  0.11
Output  | 9.1733e-05 | 9.1733e-05 | 9.1733e-05 |   0.0 |  0.00
Modify  | 0.25065    | 0.25065    | 0.25065    |   0.0 |  0.79
Other   |            | 0.02384    |            |       |  0.08

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687886 ave      687886 max      687886 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687886
Ave neighs/atom = 85.98575
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.480664241195, Press = 0.674002174791724
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.904 | 8.904 | 8.904 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     30000  -58429.487     -58429.487     -58693.043     -58693.043      254.90216      254.90216      45197.741      45197.741      4196.6192      4196.6192    
     31000  -58434.027     -58434.027     -58694.61      -58694.61       252.02591      252.02591      45250.829      45250.829     -1080.8378     -1080.8378    
Loop time of 31.3649 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.755 ns/day, 8.712 hours/ns, 31.883 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.056     | 31.056     | 31.056     |   0.0 | 99.02
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034114   | 0.034114   | 0.034114   |   0.0 |  0.11
Output  | 5.3631e-05 | 5.3631e-05 | 5.3631e-05 |   0.0 |  0.00
Modify  | 0.25097    | 0.25097    | 0.25097    |   0.0 |  0.80
Other   |            | 0.0236     |            |       |  0.08

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687906 ave      687906 max      687906 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687906
Ave neighs/atom = 85.98825
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.474019082121, Press = 4.1351260219747
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     31000  -58434.027     -58434.027     -58694.61      -58694.61       252.02591      252.02591      45250.829      45250.829     -1080.8378     -1080.8378    
     32000  -58433.161     -58433.161     -58697.035     -58697.035      255.20937      255.20937      45252.617      45252.617     -1401.8538     -1401.8538    
Loop time of 31.707 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.725 ns/day, 8.808 hours/ns, 31.539 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.398     | 31.398     | 31.398     |   0.0 | 99.02
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034482   | 0.034482   | 0.034482   |   0.0 |  0.11
Output  | 9.6061e-05 | 9.6061e-05 | 9.6061e-05 |   0.0 |  0.00
Modify  | 0.25087    | 0.25087    | 0.25087    |   0.0 |  0.79
Other   |            | 0.0237     |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687866 ave      687866 max      687866 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687866
Ave neighs/atom = 85.98325
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.459030593711, Press = -0.152970309008218
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     32000  -58433.161     -58433.161     -58697.035     -58697.035      255.20937      255.20937      45252.617      45252.617     -1401.8538     -1401.8538    
     33000  -58435.94      -58435.94      -58696.476     -58696.476      251.98027      251.98027      45224.432      45224.432      1217.1689      1217.1689    
Loop time of 31.7551 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.721 ns/day, 8.821 hours/ns, 31.491 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.447     | 31.447     | 31.447     |   0.0 | 99.03
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034361   | 0.034361   | 0.034361   |   0.0 |  0.11
Output  | 5.6677e-05 | 5.6677e-05 | 5.6677e-05 |   0.0 |  0.00
Modify  | 0.25025    | 0.25025    | 0.25025    |   0.0 |  0.79
Other   |            | 0.02362    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687884 ave      687884 max      687884 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687884
Ave neighs/atom = 85.9855
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.395155711597, Press = 1.13704472647815
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     33000  -58435.94      -58435.94      -58696.476     -58696.476      251.98027      251.98027      45224.432      45224.432      1217.1689      1217.1689    
     34000  -58435.661     -58435.661     -58695.838     -58695.838      251.63395      251.63395      45246.212      45246.212     -749.18969     -749.18969    
Loop time of 31.7309 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.723 ns/day, 8.814 hours/ns, 31.515 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.422     | 31.422     | 31.422     |   0.0 | 99.03
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034344   | 0.034344   | 0.034344   |   0.0 |  0.11
Output  | 9.3195e-05 | 9.3195e-05 | 9.3195e-05 |   0.0 |  0.00
Modify  | 0.2511     | 0.2511     | 0.2511     |   0.0 |  0.79
Other   |            | 0.02353    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687918 ave      687918 max      687918 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687918
Ave neighs/atom = 85.98975
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.391084211653, Press = 1.88519446731093
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     34000  -58435.661     -58435.661     -58695.838     -58695.838      251.63395      251.63395      45246.212      45246.212     -749.18969     -749.18969    
     35000  -58425.381     -58425.381     -58688.612     -58688.612      254.58721      254.58721      45252.741      45252.741     -819.39385     -819.39385    
Loop time of 31.7241 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.723 ns/day, 8.812 hours/ns, 31.522 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.415     | 31.415     | 31.415     |   0.0 | 99.03
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034211   | 0.034211   | 0.034211   |   0.0 |  0.11
Output  | 5.5845e-05 | 5.5845e-05 | 5.5845e-05 |   0.0 |  0.00
Modify  | 0.25087    | 0.25087    | 0.25087    |   0.0 |  0.79
Other   |            | 0.02365    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687874 ave      687874 max      687874 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687874
Ave neighs/atom = 85.98425
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.412423533337, Press = -0.314483580209542
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     35000  -58425.381     -58425.381     -58688.612     -58688.612      254.58721      254.58721      45252.741      45252.741     -819.39385     -819.39385    
     36000  -58433.906     -58433.906     -58692.555     -58692.555      250.15582      250.15582      45214.126      45214.126      2500.9578      2500.9578    
Loop time of 31.7227 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.724 ns/day, 8.812 hours/ns, 31.523 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.413     | 31.413     | 31.413     |   0.0 | 99.02
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034724   | 0.034724   | 0.034724   |   0.0 |  0.11
Output  | 8.555e-05  | 8.555e-05  | 8.555e-05  |   0.0 |  0.00
Modify  | 0.25106    | 0.25106    | 0.25106    |   0.0 |  0.79
Other   |            | 0.02386    |            |       |  0.08

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687840 ave      687840 max      687840 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687840
Ave neighs/atom = 85.98
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 = 253.414928058278, Press = 1.01193332550087
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.92 | 8.92 | 8.92 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     36000  -58433.906     -58433.906     -58692.555     -58692.555      250.15582      250.15582      45214.126      45214.126      2500.9578      2500.9578    
     37000  -58426.922     -58426.922     -58691.968     -58691.968      256.34211      256.34211      45255.616      45255.616     -1336.5093     -1336.5093    
Loop time of 31.7033 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.725 ns/day, 8.806 hours/ns, 31.542 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.394     | 31.394     | 31.394     |   0.0 | 99.02
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03422    | 0.03422    | 0.03422    |   0.0 |  0.11
Output  | 8.512e-05  | 8.512e-05  | 8.512e-05  |   0.0 |  0.00
Modify  | 0.25116    | 0.25116    | 0.25116    |   0.0 |  0.79
Other   |            | 0.0239     |            |       |  0.08

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687896 ave      687896 max      687896 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687896
Ave neighs/atom = 85.987
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.44581534411, Press = 2.47181213652181
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     37000  -58426.922     -58426.922     -58691.968     -58691.968      256.34211      256.34211      45255.616      45255.616     -1336.5093     -1336.5093    
     38000  -58430.73      -58430.73      -58692.76      -58692.76       253.4252       253.4252       45254.334      45254.334     -1297.5224     -1297.5224    
Loop time of 31.7205 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.724 ns/day, 8.811 hours/ns, 31.525 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.411     | 31.411     | 31.411     |   0.0 | 99.03
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03434    | 0.03434    | 0.03434    |   0.0 |  0.11
Output  | 5.3741e-05 | 5.3741e-05 | 5.3741e-05 |   0.0 |  0.00
Modify  | 0.25087    | 0.25087    | 0.25087    |   0.0 |  0.79
Other   |            | 0.02385    |            |       |  0.08

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687916 ave      687916 max      687916 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687916
Ave neighs/atom = 85.9895
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.435624726233, Press = -0.629735062487413
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     38000  -58430.73      -58430.73      -58692.76      -58692.76       253.4252       253.4252       45254.334      45254.334     -1297.5224     -1297.5224    
     39000  -58434.976     -58434.976     -58694.374     -58694.374      250.88012      250.88012      45213.217      45213.217      2516.3618      2516.3618    
Loop time of 31.7069 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.725 ns/day, 8.807 hours/ns, 31.539 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.398     | 31.398     | 31.398     |   0.0 | 99.02
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034309   | 0.034309   | 0.034309   |   0.0 |  0.11
Output  | 8.3987e-05 | 8.3987e-05 | 8.3987e-05 |   0.0 |  0.00
Modify  | 0.25096    | 0.25096    | 0.25096    |   0.0 |  0.79
Other   |            | 0.02387    |            |       |  0.08

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687866 ave      687866 max      687866 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687866
Ave neighs/atom = 85.98325
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.450219371937, Press = 0.891950751676392
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.92 | 8.92 | 8.92 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     39000  -58434.976     -58434.976     -58694.374     -58694.374      250.88012      250.88012      45213.217      45213.217      2516.3618      2516.3618    
     40000  -58427.918     -58427.918     -58690.197     -58690.197      253.66718      253.66718      45250.649      45250.649     -741.29506     -741.29506    
Loop time of 31.7476 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.721 ns/day, 8.819 hours/ns, 31.498 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.439     | 31.439     | 31.439     |   0.0 | 99.03
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034245   | 0.034245   | 0.034245   |   0.0 |  0.11
Output  | 5.9853e-05 | 5.9853e-05 | 5.9853e-05 |   0.0 |  0.00
Modify  | 0.25062    | 0.25062    | 0.25062    |   0.0 |  0.79
Other   |            | 0.02382    |            |       |  0.08

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687900 ave      687900 max      687900 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687900
Ave neighs/atom = 85.9875
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.459901639987, Press = 2.0839591840292
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     40000  -58427.918     -58427.918     -58690.197     -58690.197      253.66718      253.66718      45250.649      45250.649     -741.29506     -741.29506    
     41000  -58432.968     -58432.968     -58692.55      -58692.55       251.05829      251.05829      45251.557      45251.557     -1130.8796     -1130.8796    
Loop time of 31.7541 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.721 ns/day, 8.821 hours/ns, 31.492 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.445     | 31.445     | 31.445     |   0.0 | 99.03
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034343   | 0.034343   | 0.034343   |   0.0 |  0.11
Output  | 8.5921e-05 | 8.5921e-05 | 8.5921e-05 |   0.0 |  0.00
Modify  | 0.25118    | 0.25118    | 0.25118    |   0.0 |  0.79
Other   |            | 0.02384    |            |       |  0.08

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687884 ave      687884 max      687884 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687884
Ave neighs/atom = 85.9855
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.480808532138, Press = -0.49190592165566
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     41000  -58432.968     -58432.968     -58692.55      -58692.55       251.05829      251.05829      45251.557      45251.557     -1130.8796     -1130.8796    
     42000  -58427.288     -58427.288     -58693.839     -58693.839      257.79813      257.79813      45211.652      45211.652      2794.1126      2794.1126    
Loop time of 31.7227 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.724 ns/day, 8.812 hours/ns, 31.523 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.414     | 31.414     | 31.414     |   0.0 | 99.03
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034356   | 0.034356   | 0.034356   |   0.0 |  0.11
Output  | 6.3059e-05 | 6.3059e-05 | 6.3059e-05 |   0.0 |  0.00
Modify  | 0.25053    | 0.25053    | 0.25053    |   0.0 |  0.79
Other   |            | 0.02384    |            |       |  0.08

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687894 ave      687894 max      687894 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687894
Ave neighs/atom = 85.98675
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.483948392093, Press = 0.899596077708687
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.904 | 8.904 | 8.904 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     42000  -58427.288     -58427.288     -58693.839     -58693.839      257.79813      257.79813      45211.652      45211.652      2794.1126      2794.1126    
     43000  -58433.892     -58433.892     -58700.039     -58700.039      257.40819      257.40819      45257.544      45257.544     -1999.2611     -1999.2611    
Loop time of 31.3369 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.757 ns/day, 8.705 hours/ns, 31.911 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.028     | 31.028     | 31.028     |   0.0 | 99.01
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034418   | 0.034418   | 0.034418   |   0.0 |  0.11
Output  | 8.3417e-05 | 8.3417e-05 | 8.3417e-05 |   0.0 |  0.00
Modify  | 0.25068    | 0.25068    | 0.25068    |   0.0 |  0.80
Other   |            | 0.02384    |            |       |  0.08

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687906 ave      687906 max      687906 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687906
Ave neighs/atom = 85.98825
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.494135768791, Press = 2.2804137997035
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     43000  -58433.892     -58433.892     -58700.039     -58700.039      257.40819      257.40819      45257.544      45257.544     -1999.2611     -1999.2611    
     44000  -58430.56      -58430.56      -58695.737     -58695.737      256.46977      256.46977      45254.359      45254.359     -1437.6346     -1437.6346    
Loop time of 31.7156 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.724 ns/day, 8.810 hours/ns, 31.530 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.407     | 31.407     | 31.407     |   0.0 | 99.03
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034358   | 0.034358   | 0.034358   |   0.0 |  0.11
Output  | 6.1004e-05 | 6.1004e-05 | 6.1004e-05 |   0.0 |  0.00
Modify  | 0.25059    | 0.25059    | 0.25059    |   0.0 |  0.79
Other   |            | 0.02388    |            |       |  0.08

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687890 ave      687890 max      687890 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687890
Ave neighs/atom = 85.98625
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.475494074486, Press = -0.546086470563107
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     44000  -58430.56      -58430.56      -58695.737     -58695.737      256.46977      256.46977      45254.359      45254.359     -1437.6346     -1437.6346    
     45000  -58435.975     -58435.975     -58696.502     -58696.502      251.97232      251.97232      45225.048      45225.048      1268.3169      1268.3169    
Loop time of 31.7613 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.720 ns/day, 8.823 hours/ns, 31.485 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.452     | 31.452     | 31.452     |   0.0 | 99.03
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034262   | 0.034262   | 0.034262   |   0.0 |  0.11
Output  | 8.7654e-05 | 8.7654e-05 | 8.7654e-05 |   0.0 |  0.00
Modify  | 0.25086    | 0.25086    | 0.25086    |   0.0 |  0.79
Other   |            | 0.02384    |            |       |  0.08

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687912 ave      687912 max      687912 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687912
Ave neighs/atom = 85.989
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.441466089225, Press = 0.786905227878543
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     45000  -58435.975     -58435.975     -58696.502     -58696.502      251.97232      251.97232      45225.048      45225.048      1268.3169      1268.3169    
     46000  -58430.163     -58430.163     -58695.3       -58695.3        256.43067      256.43067      45247.487      45247.487     -737.38135     -737.38135    
Loop time of 31.7629 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.720 ns/day, 8.823 hours/ns, 31.483 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.454     | 31.454     | 31.454     |   0.0 | 99.03
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034348   | 0.034348   | 0.034348   |   0.0 |  0.11
Output  | 6.0153e-05 | 6.0153e-05 | 6.0153e-05 |   0.0 |  0.00
Modify  | 0.25051    | 0.25051    | 0.25051    |   0.0 |  0.79
Other   |            | 0.02386    |            |       |  0.08

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687898 ave      687898 max      687898 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687898
Ave neighs/atom = 85.98725
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.434167379693, Press = 1.02051315814132
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     46000  -58430.163     -58430.163     -58695.3       -58695.3        256.43067      256.43067      45247.487      45247.487     -737.38135     -737.38135    
     47000  -58434.816     -58434.816     -58695.8       -58695.8        252.41398      252.41398      45240.692      45240.692     -155.51956     -155.51956    
Loop time of 31.7507 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.721 ns/day, 8.820 hours/ns, 31.495 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.442     | 31.442     | 31.442     |   0.0 | 99.03
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034267   | 0.034267   | 0.034267   |   0.0 |  0.11
Output  | 9.079e-05  | 9.079e-05  | 9.079e-05  |   0.0 |  0.00
Modify  | 0.25069    | 0.25069    | 0.25069    |   0.0 |  0.79
Other   |            | 0.02354    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687872 ave      687872 max      687872 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687872
Ave neighs/atom = 85.984
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.439211772818, Press = 0.198992573446491
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     47000  -58434.816     -58434.816     -58695.8       -58695.8        252.41398      252.41398      45240.692      45240.692     -155.51956     -155.51956    
     48000  -58434.923     -58434.923     -58694.797     -58694.797      251.34061      251.34061      45222.702      45222.702      1567.6676      1567.6676    
Loop time of 31.7285 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.723 ns/day, 8.813 hours/ns, 31.517 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.42      | 31.42      | 31.42      |   0.0 | 99.03
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034392   | 0.034392   | 0.034392   |   0.0 |  0.11
Output  | 6.6154e-05 | 6.6154e-05 | 6.6154e-05 |   0.0 |  0.00
Modify  | 0.25051    | 0.25051    | 0.25051    |   0.0 |  0.79
Other   |            | 0.02382    |            |       |  0.08

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687896 ave      687896 max      687896 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687896
Ave neighs/atom = 85.987
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.450397337225, Press = 1.02661259997613
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     48000  -58434.923     -58434.923     -58694.797     -58694.797      251.34061      251.34061      45222.702      45222.702      1567.6676      1567.6676    
     49000  -58435.737     -58435.737     -58692.713     -58692.713      248.53796      248.53796      45266.578      45266.578     -2639.425      -2639.425     
Loop time of 31.6812 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.727 ns/day, 8.800 hours/ns, 31.564 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.372     | 31.372     | 31.372     |   0.0 | 99.02
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034582   | 0.034582   | 0.034582   |   0.0 |  0.11
Output  | 8.9598e-05 | 8.9598e-05 | 8.9598e-05 |   0.0 |  0.00
Modify  | 0.25092    | 0.25092    | 0.25092    |   0.0 |  0.79
Other   |            | 0.02354    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687894 ave      687894 max      687894 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687894
Ave neighs/atom = 85.98675
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.422424330282, Press = 1.47786414545835
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     49000  -58435.737     -58435.737     -58692.713     -58692.713      248.53796      248.53796      45266.578      45266.578     -2639.425      -2639.425     
     50000  -58436.311     -58436.311     -58697.438     -58697.438      252.55237      252.55237      45238.45       45238.45      -170.67108     -170.67108    
Loop time of 31.7371 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.722 ns/day, 8.816 hours/ns, 31.509 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.428     | 31.428     | 31.428     |   0.0 | 99.03
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034293   | 0.034293   | 0.034293   |   0.0 |  0.11
Output  | 6.1305e-05 | 6.1305e-05 | 6.1305e-05 |   0.0 |  0.00
Modify  | 0.25082    | 0.25082    | 0.25082    |   0.0 |  0.79
Other   |            | 0.02379    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687858 ave      687858 max      687858 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687858
Ave neighs/atom = 85.98225
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.406440356027, Press = -1.23817996577591
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     50000  -58436.311     -58436.311     -58697.438     -58697.438      252.55237      252.55237      45238.45       45238.45      -170.67108     -170.67108    
     51000  -58430.896     -58430.896     -58695.112     -58695.112      255.53975      255.53975      45217.803      45217.803      2123.214       2123.214     
Loop time of 31.7241 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.723 ns/day, 8.812 hours/ns, 31.522 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.415     | 31.415     | 31.415     |   0.0 | 99.03
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034224   | 0.034224   | 0.034224   |   0.0 |  0.11
Output  | 8.9669e-05 | 8.9669e-05 | 8.9669e-05 |   0.0 |  0.00
Modify  | 0.25071    | 0.25071    | 0.25071    |   0.0 |  0.79
Other   |            | 0.02389    |            |       |  0.08

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687876 ave      687876 max      687876 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687876
Ave neighs/atom = 85.9845
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.390117174002, Press = 1.27537982321213
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     51000  -58430.896     -58430.896     -58695.112     -58695.112      255.53975      255.53975      45217.803      45217.803      2123.214       2123.214     
     52000  -58433.285     -58433.285     -58693.456     -58693.456      251.62753      251.62753      45252.51       45252.51      -1231.542      -1231.542     
Loop time of 31.6854 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.727 ns/day, 8.802 hours/ns, 31.560 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.377     | 31.377     | 31.377     |   0.0 | 99.03
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034412   | 0.034412   | 0.034412   |   0.0 |  0.11
Output  | 5.6356e-05 | 5.6356e-05 | 5.6356e-05 |   0.0 |  0.00
Modify  | 0.25091    | 0.25091    | 0.25091    |   0.0 |  0.79
Other   |            | 0.0235     |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687912 ave      687912 max      687912 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687912
Ave neighs/atom = 85.989
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.404205827892, Press = 0.758577942384408
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     52000  -58433.285     -58433.285     -58693.456     -58693.456      251.62753      251.62753      45252.51       45252.51      -1231.542      -1231.542     
     53000  -58424.003     -58424.003     -58687.933     -58687.933      255.26318      255.26318      45242.26       45242.26       230.65903      230.65903    
Loop time of 31.7246 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.723 ns/day, 8.812 hours/ns, 31.521 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    | 31.416     | 31.416     | 31.416     |   0.0 | 99.03
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0343     | 0.0343     | 0.0343     |   0.0 |  0.11
Output  | 9.5099e-05 | 9.5099e-05 | 9.5099e-05 |   0.0 |  0.00
Modify  | 0.25079    | 0.25079    | 0.25079    |   0.0 |  0.79
Other   |            | 0.02382    |            |       |  0.08

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687892 ave      687892 max      687892 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687892
Ave neighs/atom = 85.9865
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.406953158966, Press = 0.101680227747921
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     53000  -58424.003     -58424.003     -58687.933     -58687.933      255.26318      255.26318      45242.26       45242.26       230.65903      230.65903    
     54000  -58434.607     -58434.607     -58695.25      -58695.25       252.08434      252.08434      45227.942      45227.942      1023.4186      1023.4186    
Loop time of 31.7063 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.725 ns/day, 8.807 hours/ns, 31.540 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    | 31.398     | 31.398     | 31.398     |   0.0 | 99.03
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034398   | 0.034398   | 0.034398   |   0.0 |  0.11
Output  | 7.2196e-05 | 7.2196e-05 | 7.2196e-05 |   0.0 |  0.00
Modify  | 0.25054    | 0.25054    | 0.25054    |   0.0 |  0.79
Other   |            | 0.0232     |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687862 ave      687862 max      687862 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687862
Ave neighs/atom = 85.98275
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.422298128003, Press = 1.03348472365928
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     54000  -58434.607     -58434.607     -58695.25      -58695.25       252.08434      252.08434      45227.942      45227.942      1023.4186      1023.4186    
     55000  -58428.943     -58428.943     -58692.933     -58692.933      255.32155      255.32155      45260.448      45260.448     -1866.1292     -1866.1292    
Loop time of 31.6854 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.727 ns/day, 8.801 hours/ns, 31.560 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.377     | 31.377     | 31.377     |   0.0 | 99.03
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034417   | 0.034417   | 0.034417   |   0.0 |  0.11
Output  | 5.7589e-05 | 5.7589e-05 | 5.7589e-05 |   0.0 |  0.00
Modify  | 0.25067    | 0.25067    | 0.25067    |   0.0 |  0.79
Other   |            | 0.02356    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687904 ave      687904 max      687904 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687904
Ave neighs/atom = 85.988
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.431034628012, Press = 0.617375125691853
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     55000  -58428.943     -58428.943     -58692.933     -58692.933      255.32155      255.32155      45260.448      45260.448     -1866.1292     -1866.1292    
     56000  -58433.831     -58433.831     -58692.269     -58692.269      249.95213      249.95213      45229.305      45229.305      1116.1523      1116.1523    
Loop time of 31.7003 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.726 ns/day, 8.806 hours/ns, 31.545 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.391     | 31.391     | 31.391     |   0.0 | 99.03
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034284   | 0.034284   | 0.034284   |   0.0 |  0.11
Output  | 8.0221e-05 | 8.0221e-05 | 8.0221e-05 |   0.0 |  0.00
Modify  | 0.25077    | 0.25077    | 0.25077    |   0.0 |  0.79
Other   |            | 0.02386    |            |       |  0.08

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687898 ave      687898 max      687898 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687898
Ave neighs/atom = 85.98725
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.429251890555, Press = -0.435980409468697
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     56000  -58433.831     -58433.831     -58692.269     -58692.269      249.95213      249.95213      45229.305      45229.305      1116.1523      1116.1523    
     57000  -58431.101     -58431.101     -58694.058     -58694.058      254.32208      254.32208      45219.082      45219.082      2070.6302      2070.6302    
Loop time of 31.7205 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.724 ns/day, 8.811 hours/ns, 31.525 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.412     | 31.412     | 31.412     |   0.0 | 99.03
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034296   | 0.034296   | 0.034296   |   0.0 |  0.11
Output  | 5.5514e-05 | 5.5514e-05 | 5.5514e-05 |   0.0 |  0.00
Modify  | 0.2505     | 0.2505     | 0.2505     |   0.0 |  0.79
Other   |            | 0.02382    |            |       |  0.08

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687896 ave      687896 max      687896 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687896
Ave neighs/atom = 85.987
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.436464733773, Press = 1.91792404003599
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     57000  -58431.101     -58431.101     -58694.058     -58694.058      254.32208      254.32208      45219.082      45219.082      2070.6302      2070.6302    
     58000  -58426.801     -58426.801     -58691.318     -58691.318      255.83132      255.83132      45284.421      45284.421     -4018.7621     -4018.7621    
Loop time of 31.6648 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.729 ns/day, 8.796 hours/ns, 31.581 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.356     | 31.356     | 31.356     |   0.0 | 99.02
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034315   | 0.034315   | 0.034315   |   0.0 |  0.11
Output  | 8.5491e-05 | 8.5491e-05 | 8.5491e-05 |   0.0 |  0.00
Modify  | 0.25064    | 0.25064    | 0.25064    |   0.0 |  0.79
Other   |            | 0.02389    |            |       |  0.08

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687900 ave      687900 max      687900 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687900
Ave neighs/atom = 85.9875
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.432297478528, Press = 0.277840138957909
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     58000  -58426.801     -58426.801     -58691.318     -58691.318      255.83132      255.83132      45284.421      45284.421     -4018.7621     -4018.7621    
     59000  -58433.442     -58433.442     -58697.3       -58697.3        255.19364      255.19364      45229.13       45229.13       844.3627       844.3627     
Loop time of 31.6971 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.726 ns/day, 8.805 hours/ns, 31.549 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.388     | 31.388     | 31.388     |   0.0 | 99.03
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034446   | 0.034446   | 0.034446   |   0.0 |  0.11
Output  | 5.7158e-05 | 5.7158e-05 | 5.7158e-05 |   0.0 |  0.00
Modify  | 0.25056    | 0.25056    | 0.25056    |   0.0 |  0.79
Other   |            | 0.02377    |            |       |  0.08

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687854 ave      687854 max      687854 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687854
Ave neighs/atom = 85.98175
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.448735340289, Press = 0.0779645803871527
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     59000  -58433.442     -58433.442     -58697.3       -58697.3        255.19364      255.19364      45229.13       45229.13       844.3627       844.3627     
     60000  -58428.349     -58428.349     -58690.578     -58690.578      253.61856      253.61856      45239.012      45239.012      368.76238      368.76238    
Loop time of 31.6485 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.730 ns/day, 8.791 hours/ns, 31.597 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.339     | 31.339     | 31.339     |   0.0 | 99.02
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034272   | 0.034272   | 0.034272   |   0.0 |  0.11
Output  | 8.0121e-05 | 8.0121e-05 | 8.0121e-05 |   0.0 |  0.00
Modify  | 0.25083    | 0.25083    | 0.25083    |   0.0 |  0.79
Other   |            | 0.02387    |            |       |  0.08

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687888 ave      687888 max      687888 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687888
Ave neighs/atom = 85.986
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.445922453671, Press = 0.924572929694023
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     60000  -58428.349     -58428.349     -58690.578     -58690.578      253.61856      253.61856      45239.012      45239.012      368.76238      368.76238    
     61000  -58432.885     -58432.885     -58697.304     -58697.304      255.73551      255.73551      45251.124      45251.124     -1269.6446     -1269.6446    
Loop time of 31.686 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.727 ns/day, 8.802 hours/ns, 31.560 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.377     | 31.377     | 31.377     |   0.0 | 99.02
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034487   | 0.034487   | 0.034487   |   0.0 |  0.11
Output  | 6.1486e-05 | 6.1486e-05 | 6.1486e-05 |   0.0 |  0.00
Modify  | 0.25057    | 0.25057    | 0.25057    |   0.0 |  0.79
Other   |            | 0.02382    |            |       |  0.08

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687870 ave      687870 max      687870 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687870
Ave neighs/atom = 85.98375
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.459969993299, Press = 0.26038985579571
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     61000  -58432.885     -58432.885     -58697.304     -58697.304      255.73551      255.73551      45251.124      45251.124     -1269.6446     -1269.6446    
     62000  -58431.462     -58431.462     -58693.804     -58693.804      253.72766      253.72766      45215.846      45215.846      2300.0171      2300.0171    
Loop time of 31.697 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.726 ns/day, 8.805 hours/ns, 31.549 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.388     | 31.388     | 31.388     |   0.0 | 99.02
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034401   | 0.034401   | 0.034401   |   0.0 |  0.11
Output  | 0.00015929 | 0.00015929 | 0.00015929 |   0.0 |  0.00
Modify  | 0.25101    | 0.25101    | 0.25101    |   0.0 |  0.79
Other   |            | 0.02377    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687898 ave      687898 max      687898 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687898
Ave neighs/atom = 85.98725
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.447169937851, Press = 0.0642445342069383
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     62000  -58431.462     -58431.462     -58693.804     -58693.804      253.72766      253.72766      45215.846      45215.846      2300.0171      2300.0171    
     63000  -58438.531     -58438.531     -58701.522     -58701.522      254.35571      254.35571      45234.041      45234.041      41.114321      41.114321    
Loop time of 31.7073 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.725 ns/day, 8.808 hours/ns, 31.538 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    | 31.398     | 31.398     | 31.398     |   0.0 | 99.03
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034414   | 0.034414   | 0.034414   |   0.0 |  0.11
Output  | 5.6766e-05 | 5.6766e-05 | 5.6766e-05 |   0.0 |  0.00
Modify  | 0.25085    | 0.25085    | 0.25085    |   0.0 |  0.79
Other   |            | 0.0238     |            |       |  0.08

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687892 ave      687892 max      687892 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687892
Ave neighs/atom = 85.9865
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.427443737052, Press = 2.04145762146851
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     63000  -58438.531     -58438.531     -58701.522     -58701.522      254.35571      254.35571      45234.041      45234.041      41.114321      41.114321    
     64000  -58430.573     -58430.573     -58691.758     -58691.758      252.60922      252.60922      45266.824      45266.824     -2474.7168     -2474.7168    
Loop time of 31.7126 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.724 ns/day, 8.809 hours/ns, 31.533 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.404     | 31.404     | 31.404     |   0.0 | 99.03
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034265   | 0.034265   | 0.034265   |   0.0 |  0.11
Output  | 8.1513e-05 | 8.1513e-05 | 8.1513e-05 |   0.0 |  0.00
Modify  | 0.2508     | 0.2508     | 0.2508     |   0.0 |  0.79
Other   |            | 0.02384    |            |       |  0.08

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687928 ave      687928 max      687928 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687928
Ave neighs/atom = 85.991
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.416842935818, Press = -0.172390849546281
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     64000  -58430.573     -58430.573     -58691.758     -58691.758      252.60922      252.60922      45266.824      45266.824     -2474.7168     -2474.7168    
     65000  -58438.166     -58438.166     -58698.68      -58698.68       251.95924      251.95924      45215.807      45215.807      1995.6979      1995.6979    
Loop time of 31.6866 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.727 ns/day, 8.802 hours/ns, 31.559 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    | 31.378     | 31.378     | 31.378     |   0.0 | 99.02
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034522   | 0.034522   | 0.034522   |   0.0 |  0.11
Output  | 5.6296e-05 | 5.6296e-05 | 5.6296e-05 |   0.0 |  0.00
Modify  | 0.25061    | 0.25061    | 0.25061    |   0.0 |  0.79
Other   |            | 0.0238     |            |       |  0.08

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687868 ave      687868 max      687868 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687868
Ave neighs/atom = 85.9835
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.394259295229, Press = 0.124517136676828
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     65000  -58438.166     -58438.166     -58698.68      -58698.68       251.95924      251.95924      45215.807      45215.807      1995.6979      1995.6979    
     66000  -58428.461     -58428.461     -58691.096     -58691.096      254.01052      254.01052      45243.216      45243.216     -144.96033     -144.96033    
Loop time of 31.709 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.725 ns/day, 8.808 hours/ns, 31.537 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.4       | 31.4       | 31.4       |   0.0 | 99.02
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034488   | 0.034488   | 0.034488   |   0.0 |  0.11
Output  | 8.8456e-05 | 8.8456e-05 | 8.8456e-05 |   0.0 |  0.00
Modify  | 0.25094    | 0.25094    | 0.25094    |   0.0 |  0.79
Other   |            | 0.02386    |            |       |  0.08

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687924 ave      687924 max      687924 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687924
Ave neighs/atom = 85.9905
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.383910422523, Press = 1.10525161117394
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     66000  -58428.461     -58428.461     -58691.096     -58691.096      254.01052      254.01052      45243.216      45243.216     -144.96033     -144.96033    
     67000  -58434.043     -58434.043     -58694.969     -58694.969      252.3582       252.3582       45248.877      45248.877     -968.61813     -968.61813    
Loop time of 31.7371 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.722 ns/day, 8.816 hours/ns, 31.509 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.428     | 31.428     | 31.428     |   0.0 | 99.03
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034364   | 0.034364   | 0.034364   |   0.0 |  0.11
Output  | 6.2708e-05 | 6.2708e-05 | 6.2708e-05 |   0.0 |  0.00
Modify  | 0.25085    | 0.25085    | 0.25085    |   0.0 |  0.79
Other   |            | 0.02378    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687902 ave      687902 max      687902 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687902
Ave neighs/atom = 85.98775
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.393346115561, Press = 0.20044824289929
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     67000  -58434.043     -58434.043     -58694.969     -58694.969      252.3582       252.3582       45248.877      45248.877     -968.61813     -968.61813    
     68000  -58429.087     -58429.087     -58695.408     -58695.408      257.57562      257.57562      45236.727      45236.727      222.76919      222.76919    
Loop time of 31.7329 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.723 ns/day, 8.815 hours/ns, 31.513 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    | 31.425     | 31.425     | 31.425     |   0.0 | 99.03
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034225   | 0.034225   | 0.034225   |   0.0 |  0.11
Output  | 8.6703e-05 | 8.6703e-05 | 8.6703e-05 |   0.0 |  0.00
Modify  | 0.2501     | 0.2501     | 0.2501     |   0.0 |  0.79
Other   |            | 0.02327    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687926 ave      687926 max      687926 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687926
Ave neighs/atom = 85.99075
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.399009140194, Press = 0.343265007506617
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     68000  -58429.087     -58429.087     -58695.408     -58695.408      257.57562      257.57562      45236.727      45236.727      222.76919      222.76919    
     69000  -58437.713     -58437.713     -58697.377     -58697.377      251.13763      251.13763      45237.368      45237.368     -75.894481     -75.894481    
Loop time of 31.7114 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.725 ns/day, 8.809 hours/ns, 31.534 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.403     | 31.403     | 31.403     |   0.0 | 99.03
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034282   | 0.034282   | 0.034282   |   0.0 |  0.11
Output  | 5.6065e-05 | 5.6065e-05 | 5.6065e-05 |   0.0 |  0.00
Modify  | 0.25013    | 0.25013    | 0.25013    |   0.0 |  0.79
Other   |            | 0.02349    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687866 ave      687866 max      687866 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687866
Ave neighs/atom = 85.98325
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.388816940253, Press = 0.566440665247346
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     69000  -58437.713     -58437.713     -58697.377     -58697.377      251.13763      251.13763      45237.368      45237.368     -75.894481     -75.894481    
     70000  -58430.465     -58430.465     -58692.142     -58692.142      253.0843       253.0843       45246.399      45246.399     -522.14311     -522.14311    
Loop time of 31.7402 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.722 ns/day, 8.817 hours/ns, 31.506 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.431     | 31.431     | 31.431     |   0.0 | 99.03
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034602   | 0.034602   | 0.034602   |   0.0 |  0.11
Output  | 8.3988e-05 | 8.3988e-05 | 8.3988e-05 |   0.0 |  0.00
Modify  | 0.25087    | 0.25087    | 0.25087    |   0.0 |  0.79
Other   |            | 0.02359    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687916 ave      687916 max      687916 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687916
Ave neighs/atom = 85.9895
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.378104601828, Press = 0.176010921332808
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     70000  -58430.465     -58430.465     -58692.142     -58692.142      253.0843       253.0843       45246.399      45246.399     -522.14311     -522.14311    
     71000  -58435.002     -58435.002     -58696.211     -58696.211      252.63193      252.63193      45217.49       45217.49       2059.196       2059.196     
Loop time of 31.6931 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.726 ns/day, 8.804 hours/ns, 31.553 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.384     | 31.384     | 31.384     |   0.0 | 99.03
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034346   | 0.034346   | 0.034346   |   0.0 |  0.11
Output  | 5.6306e-05 | 5.6306e-05 | 5.6306e-05 |   0.0 |  0.00
Modify  | 0.25046    | 0.25046    | 0.25046    |   0.0 |  0.79
Other   |            | 0.02377    |            |       |  0.08

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687876 ave      687876 max      687876 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687876
Ave neighs/atom = 85.9845
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.354923948209, Press = 0.452141778124291
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     71000  -58435.002     -58435.002     -58696.211     -58696.211      252.63193      252.63193      45217.49       45217.49       2059.196       2059.196     
     72000  -58432.615     -58432.615     -58696.213     -58696.213      254.94196      254.94196      45254.091      45254.091     -1534.4361     -1534.4361    
Loop time of 31.652 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.730 ns/day, 8.792 hours/ns, 31.594 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.343     | 31.343     | 31.343     |   0.0 | 99.02
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03461    | 0.03461    | 0.03461    |   0.0 |  0.11
Output  | 9.2755e-05 | 9.2755e-05 | 9.2755e-05 |   0.0 |  0.00
Modify  | 0.25088    | 0.25088    | 0.25088    |   0.0 |  0.79
Other   |            | 0.02373    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687894 ave      687894 max      687894 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687894
Ave neighs/atom = 85.98675
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.353211881278, Press = 1.13174743115152
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     72000  -58432.615     -58432.615     -58696.213     -58696.213      254.94196      254.94196      45254.091      45254.091     -1534.4361     -1534.4361    
     73000  -58433.787     -58433.787     -58694.209     -58694.209      251.87088      251.87088      45255.154      45255.154     -1520.6734     -1520.6734    
Loop time of 31.6906 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.726 ns/day, 8.803 hours/ns, 31.555 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    | 31.382     | 31.382     | 31.382     |   0.0 | 99.03
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034239   | 0.034239   | 0.034239   |   0.0 |  0.11
Output  | 7.7285e-05 | 7.7285e-05 | 7.7285e-05 |   0.0 |  0.00
Modify  | 0.25043    | 0.25043    | 0.25043    |   0.0 |  0.79
Other   |            | 0.02373    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687880 ave      687880 max      687880 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687880
Ave neighs/atom = 85.985
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.338562206977, Press = -0.621600915554376
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     73000  -58433.787     -58433.787     -58694.209     -58694.209      251.87088      251.87088      45255.154      45255.154     -1520.6734     -1520.6734    
     74000  -58439.088     -58439.088     -58703.382     -58703.382      255.6155       255.6155       45210.986      45210.986      2228.3495      2228.3495    
Loop time of 31.6399 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.731 ns/day, 8.789 hours/ns, 31.606 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    | 31.332     | 31.332     | 31.332     |   0.0 | 99.03
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034382   | 0.034382   | 0.034382   |   0.0 |  0.11
Output  | 5.6947e-05 | 5.6947e-05 | 5.6947e-05 |   0.0 |  0.00
Modify  | 0.2499     | 0.2499     | 0.2499     |   0.0 |  0.79
Other   |            | 0.02346    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687890 ave      687890 max      687890 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687890
Ave neighs/atom = 85.98625
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.329593919846, Press = 0.468926158801985
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.904 | 8.904 | 8.904 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     74000  -58439.088     -58439.088     -58703.382     -58703.382      255.6155       255.6155       45210.986      45210.986      2228.3495      2228.3495    
     75000  -58431.543     -58431.543     -58691.634     -58691.634      251.55054      251.55054      45244.347      45244.347     -289.51721     -289.51721    
Loop time of 31.3067 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.760 ns/day, 8.696 hours/ns, 31.942 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    | 30.998     | 30.998     | 30.998     |   0.0 | 99.02
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034115   | 0.034115   | 0.034115   |   0.0 |  0.11
Output  | 8.3447e-05 | 8.3447e-05 | 8.3447e-05 |   0.0 |  0.00
Modify  | 0.25034    | 0.25034    | 0.25034    |   0.0 |  0.80
Other   |            | 0.02379    |            |       |  0.08

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687928 ave      687928 max      687928 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687928
Ave neighs/atom = 85.991
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.3113830964, Press = 0.683875184704894
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     75000  -58431.543     -58431.543     -58691.634     -58691.634      251.55054      251.55054      45244.347      45244.347     -289.51721     -289.51721    
     76000  -58433.582     -58433.582     -58693.809     -58693.809      251.68235      251.68235      45244.155      45244.155     -512.87633     -512.87633    
Loop time of 31.7022 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.725 ns/day, 8.806 hours/ns, 31.544 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    | 31.394     | 31.394     | 31.394     |   0.0 | 99.03
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034474   | 0.034474   | 0.034474   |   0.0 |  0.11
Output  | 5.6476e-05 | 5.6476e-05 | 5.6476e-05 |   0.0 |  0.00
Modify  | 0.25028    | 0.25028    | 0.25028    |   0.0 |  0.79
Other   |            | 0.02372    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687914 ave      687914 max      687914 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687914
Ave neighs/atom = 85.98925
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
jump SELF break

# Write final averaged volume to file if temperature and volume have converged; otherwise wirte a
# flag to indicate non-convergence.
variable      myStep equal step
if "${myStep} < 2000000" then "print '${V}'  file output/vol_T253.15.out"  else  "print 'not_converged'  file output/vol_T253.15.out"
print '${V}'  file output/vol_T253.15.out
45239.6149069378

print "LAMMPS calculation completed"
LAMMPS calculation completed
quit 0