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

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

# create a supercell with cubic lattice (fcc, bcc, sc, or diamond)
# using 10*10*10 conventional (orthogonal) unit cells
variable latticeconst_converted equal 2.867570169270039*${_u_distance}
variable latticeconst_converted equal 2.867570169270039*1
lattice       bcc  ${latticeconst_converted}
lattice       bcc  2.86757016927004
Lattice spacing in x,y,z = 2.8675702 2.8675702 2.8675702
region        simbox  block 0 10 0 10 0 10 units lattice
create_box    1 simbox
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (28.675702 28.675702 28.675702)
  1 by 1 by 1 MPI processor grid
create_atoms  1 box
Created 2000 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (28.675702 28.675702 28.675702)
  create_atoms CPU = 0.001 seconds

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

kim_interactions Fe

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

kim interactions Fe
#=== BEGIN kim interactions ==================================
pair_style kim MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_001
pair_coeff * * Fe
#=== END kim interactions ====================================


mass          1 ${mass_converted}
mass          1 55.845

# initial volume
variable      v equal vol        # assign formula
variable      V0 equal ${v}    # evaluate initial value
variable      V0 equal 23579.9110015415    
variable      V0_metal equal ${V0}/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 23579.9110015415/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 23579.9110015415/(1*${_u_distance}*${_u_distance})
variable      V0_metal equal 23579.9110015415/(1*1*${_u_distance})
variable      V0_metal equal 23579.9110015415/(1*1*1)
variable      V0_metal_times1000 equal ${V0_metal}*1000
variable      V0_metal_times1000 equal 23579.9110015415*1000

print "Initial system volume: ${V0_metal} Angstroms^3"
Initial system volume: 23579.9110015415 Angstroms^3

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

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

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

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

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

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

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

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

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

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

Your simulation uses code contributions which should be cited:

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

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

- OpenKIM potential: https://openkim.org/cite/MO_427873955970_001#item-citation

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
       0   -8473.9162   -8473.9162   -8559.9992   -8559.9992       333.15       333.15    23579.911    23579.911    3899.3732    3899.3732 
    1000   -8389.2501   -8389.2501   -8475.8401   -8475.8401    335.11213    335.11213    23836.223    23836.223   -1747.9231   -1747.9231 
Loop time of 135.235 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.639 ns/day, 37.565 hours/ns, 7.395 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 134.99     | 134.99     | 134.99     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038356   | 0.038356   | 0.038356   |   0.0 |  0.03
Output  | 0.00027518 | 0.00027518 | 0.00027518 |   0.0 |  0.00
Modify  | 0.17288    | 0.17288    | 0.17288    |   0.0 |  0.13
Other   |            | 0.02934    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      224000.0 ave      224000 max      224000 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 224000
Ave neighs/atom = 112.00000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    1000   -8389.2501   -8389.2501   -8475.8401   -8475.8401    335.11213    335.11213    23836.223    23836.223   -1747.9231   -1747.9231 
    2000   -8386.5037   -8386.5037   -8470.7022   -8470.7022    325.85719    325.85719    23825.386    23825.386   -561.86971   -561.86971 
Loop time of 141.902 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.609 ns/day, 39.417 hours/ns, 7.047 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 141.66     | 141.66     | 141.66     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03855    | 0.03855    | 0.03855    |   0.0 |  0.03
Output  | 0.00013517 | 0.00013517 | 0.00013517 |   0.0 |  0.00
Modify  | 0.17629    | 0.17629    | 0.17629    |   0.0 |  0.12
Other   |            | 0.02921    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4121.00 ave        4121 max        4121 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239092.0 ave      239092 max      239092 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239092
Ave neighs/atom = 119.54600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    2000   -8386.5037   -8386.5037   -8470.7022   -8470.7022    325.85719    325.85719    23825.386    23825.386   -561.86971   -561.86971 
    3000   -8389.5736   -8389.5736   -8474.8283   -8474.8283    329.94432    329.94432    23790.401    23790.401    1526.3866    1526.3866 
Loop time of 144.485 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.598 ns/day, 40.135 hours/ns, 6.921 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 144.24     | 144.24     | 144.24     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038931   | 0.038931   | 0.038931   |   0.0 |  0.03
Output  | 0.00013888 | 0.00013888 | 0.00013888 |   0.0 |  0.00
Modify  | 0.179      | 0.179      | 0.179      |   0.0 |  0.12
Other   |            | 0.02904    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4126.00 ave        4126 max        4126 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239484.0 ave      239484 max      239484 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239484
Ave neighs/atom = 119.74200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    3000   -8389.5736   -8389.5736   -8474.8283   -8474.8283    329.94432    329.94432    23790.401    23790.401    1526.3866    1526.3866 
    4000   -8385.9883   -8385.9883   -8469.8152   -8469.8152    324.41881    324.41881    23822.437    23822.437   -59.280655   -59.280655 
Loop time of 143.78 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.601 ns/day, 39.939 hours/ns, 6.955 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 143.53     | 143.53     | 143.53     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038643   | 0.038643   | 0.038643   |   0.0 |  0.03
Output  | 0.00038831 | 0.00038831 | 0.00038831 |   0.0 |  0.00
Modify  | 0.17809    | 0.17809    | 0.17809    |   0.0 |  0.12
Other   |            | 0.02879    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4124.00 ave        4124 max        4124 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239750.0 ave      239750 max      239750 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239750
Ave neighs/atom = 119.87500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    4000   -8385.9883   -8385.9883   -8469.8152   -8469.8152    324.41881    324.41881    23822.437    23822.437   -59.280655   -59.280655 
    5000   -8390.3692   -8390.3692   -8474.2774   -8474.2774    324.73333    324.73333    23826.057    23826.057   -896.30477   -896.30477 
Loop time of 164.634 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.525 ns/day, 45.732 hours/ns, 6.074 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 164.35     | 164.35     | 164.35     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.045083   | 0.045083   | 0.045083   |   0.0 |  0.03
Output  | 9.9492e-05 | 9.9492e-05 | 9.9492e-05 |   0.0 |  0.00
Modify  | 0.20509    | 0.20509    | 0.20509    |   0.0 |  0.12
Other   |            | 0.03304    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4120.00 ave        4120 max        4120 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239362.0 ave      239362 max      239362 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239362
Ave neighs/atom = 119.68100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 328.772762282333, Press = 458.872702599673
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    5000   -8390.3692   -8390.3692   -8474.2774   -8474.2774    324.73333    324.73333    23826.057    23826.057   -896.30477   -896.30477 
    6000   -8387.8555   -8387.8555   -8473.7497   -8473.7497    332.41938    332.41938     23783.85     23783.85    2019.0455    2019.0455 
Loop time of 222.841 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.388 ns/day, 61.900 hours/ns, 4.488 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    | 222.45     | 222.45     | 222.45     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.061772   | 0.061772   | 0.061772   |   0.0 |  0.03
Output  | 0.00016588 | 0.00016588 | 0.00016588 |   0.0 |  0.00
Modify  | 0.28597    | 0.28597    | 0.28597    |   0.0 |  0.13
Other   |            | 0.04383    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4123.00 ave        4123 max        4123 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238998.0 ave      238998 max      238998 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238998
Ave neighs/atom = 119.49900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.187146055506, Press = 55.5385570159619
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    6000   -8387.8555   -8387.8555   -8473.7497   -8473.7497    332.41938    332.41938     23783.85     23783.85    2019.0455    2019.0455 
    7000   -8386.9311   -8386.9311   -8472.2813   -8472.2813    330.31421    330.31421    23827.722    23827.722   -730.76064   -730.76064 
Loop time of 215.974 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.400 ns/day, 59.993 hours/ns, 4.630 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 215.58     | 215.58     | 215.58     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.062171   | 0.062171   | 0.062171   |   0.0 |  0.03
Output  | 0.00011632 | 0.00011632 | 0.00011632 |   0.0 |  0.00
Modify  | 0.28772    | 0.28772    | 0.28772    |   0.0 |  0.13
Other   |            | 0.04664    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4122.00 ave        4122 max        4122 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      240014.0 ave      240014 max      240014 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 240014
Ave neighs/atom = 120.00700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.114494406607, Press = -29.1329622256584
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    7000   -8386.9311   -8386.9311   -8472.2813   -8472.2813    330.31421    330.31421    23827.722    23827.722   -730.76064   -730.76064 
    8000   -8386.9594   -8386.9594   -8474.3882   -8474.3882    338.35871    338.35871    23848.089    23848.089    -2279.045    -2279.045 
Loop time of 143.032 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.604 ns/day, 39.731 hours/ns, 6.991 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 142.78     | 142.78     | 142.78     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039262   | 0.039262   | 0.039262   |   0.0 |  0.03
Output  | 0.00010936 | 0.00010936 | 0.00010936 |   0.0 |  0.00
Modify  | 0.18702    | 0.18702    | 0.18702    |   0.0 |  0.13
Other   |            | 0.02946    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4122.00 ave        4122 max        4122 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239362.0 ave      239362 max      239362 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239362
Ave neighs/atom = 119.68100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 334.274468106593, Press = 22.9565261477596
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    8000   -8386.9594   -8386.9594   -8474.3882   -8474.3882    338.35871    338.35871    23848.089    23848.089    -2279.045    -2279.045 
    9000   -8386.3025   -8386.3025    -8473.905    -8473.905    339.03073    339.03073    23794.211    23794.211    1541.5382    1541.5382 
Loop time of 141.037 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.613 ns/day, 39.177 hours/ns, 7.090 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 140.78     | 140.78     | 140.78     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038879   | 0.038879   | 0.038879   |   0.0 |  0.03
Output  | 9.8749e-05 | 9.8749e-05 | 9.8749e-05 |   0.0 |  0.00
Modify  | 0.18439    | 0.18439    | 0.18439    |   0.0 |  0.13
Other   |            | 0.02894    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4121.00 ave        4121 max        4121 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238664.0 ave      238664 max      238664 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238664
Ave neighs/atom = 119.33200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.995426294986, Press = 12.5457483411903
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    9000   -8386.3025   -8386.3025    -8473.905    -8473.905    339.03073    339.03073    23794.211    23794.211    1541.5382    1541.5382 
   10000    -8391.974    -8391.974   -8476.0724   -8476.0724    325.46927    325.46927     23810.56     23810.56   -143.61528   -143.61528 
Loop time of 142.066 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.608 ns/day, 39.463 hours/ns, 7.039 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 141.81     | 141.81     | 141.81     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039      | 0.039      | 0.039      |   0.0 |  0.03
Output  | 0.00010076 | 0.00010076 | 0.00010076 |   0.0 |  0.00
Modify  | 0.18497    | 0.18497    | 0.18497    |   0.0 |  0.13
Other   |            | 0.02956    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4127.00 ave        4127 max        4127 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239768.0 ave      239768 max      239768 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239768
Ave neighs/atom = 119.88400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.158514257902, Press = 2.58101549497802
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   10000    -8391.974    -8391.974   -8476.0724   -8476.0724    325.46927    325.46927     23810.56     23810.56   -143.61528   -143.61528 
   11000   -8386.2733   -8386.2733   -8473.5937   -8473.5937    337.93872    337.93872    23823.717    23823.717   -505.52764   -505.52764 
Loop time of 163.898 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.527 ns/day, 45.527 hours/ns, 6.101 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 163.6      | 163.6      | 163.6      |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.046688   | 0.046688   | 0.046688   |   0.0 |  0.03
Output  | 0.00010666 | 0.00010666 | 0.00010666 |   0.0 |  0.00
Modify  | 0.21855    | 0.21855    | 0.21855    |   0.0 |  0.13
Other   |            | 0.03564    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4122.00 ave        4122 max        4122 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239440.0 ave      239440 max      239440 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239440
Ave neighs/atom = 119.72000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.007052799311, Press = 4.62948848070531
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   11000   -8386.2733   -8386.2733   -8473.5937   -8473.5937    337.93872    337.93872    23823.717    23823.717   -505.52764   -505.52764 
   12000    -8386.063    -8386.063   -8472.6537   -8472.6537    335.11498    335.11498    23815.382    23815.382    216.17203    216.17203 
Loop time of 150.495 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.574 ns/day, 41.804 hours/ns, 6.645 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 150.23     | 150.23     | 150.23     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041404   | 0.041404   | 0.041404   |   0.0 |  0.03
Output  | 0.00038808 | 0.00038808 | 0.00038808 |   0.0 |  0.00
Modify  | 0.19415    | 0.19415    | 0.19415    |   0.0 |  0.13
Other   |            | 0.03011    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4128.00 ave        4128 max        4128 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239150.0 ave      239150 max      239150 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239150
Ave neighs/atom = 119.57500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.912718516267, Press = 5.11159267340063
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   12000    -8386.063    -8386.063   -8472.6537   -8472.6537    335.11498    335.11498    23815.382    23815.382    216.17203    216.17203 
   13000    -8387.416    -8387.416   -8473.2428   -8473.2428    332.15844    332.15844    23815.524    23815.524    164.01594    164.01594 
Loop time of 143.253 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.603 ns/day, 39.792 hours/ns, 6.981 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 143        | 143        | 143        |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03909    | 0.03909    | 0.03909    |   0.0 |  0.03
Output  | 9.5672e-05 | 9.5672e-05 | 9.5672e-05 |   0.0 |  0.00
Modify  | 0.18436    | 0.18436    | 0.18436    |   0.0 |  0.13
Other   |            | 0.02836    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4128.00 ave        4128 max        4128 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239488.0 ave      239488 max      239488 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239488
Ave neighs/atom = 119.74400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.777967563626, Press = 1.91171239298041
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   13000    -8387.416    -8387.416   -8473.2428   -8473.2428    332.15844    332.15844    23815.524    23815.524    164.01594    164.01594 
   14000   -8389.6769   -8389.6769   -8475.4454   -8475.4454    331.93311    331.93311    23826.143    23826.143   -933.48874   -933.48874 
Loop time of 166.981 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.517 ns/day, 46.384 hours/ns, 5.989 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 166.69     | 166.69     | 166.69     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.046339   | 0.046339   | 0.046339   |   0.0 |  0.03
Output  | 0.00013872 | 0.00013872 | 0.00013872 |   0.0 |  0.00
Modify  | 0.21382    | 0.21382    | 0.21382    |   0.0 |  0.13
Other   |            | 0.0334     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4120.00 ave        4120 max        4120 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239244.0 ave      239244 max      239244 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239244
Ave neighs/atom = 119.62200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.500524598557, Press = 2.15135640649986
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   14000   -8389.6769   -8389.6769   -8475.4454   -8475.4454    331.93311    331.93311    23826.143    23826.143   -933.48874   -933.48874 
   15000   -8390.3588   -8390.3588   -8474.8075   -8474.8075    326.82543    326.82543     23802.07     23802.07    679.36984    679.36984 
Loop time of 147.449 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.586 ns/day, 40.958 hours/ns, 6.782 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    | 147.19     | 147.19     | 147.19     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04066    | 0.04066    | 0.04066    |   0.0 |  0.03
Output  | 9.05e-05   | 9.05e-05   | 9.05e-05   |   0.0 |  0.00
Modify  | 0.18911    | 0.18911    | 0.18911    |   0.0 |  0.13
Other   |            | 0.02951    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4127.00 ave        4127 max        4127 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238998.0 ave      238998 max      238998 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238998
Ave neighs/atom = 119.49900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.554605740554, Press = 5.9736366794797
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   15000   -8390.3588   -8390.3588   -8474.8075   -8474.8075    326.82543    326.82543     23802.07     23802.07    679.36984    679.36984 
   16000   -8386.8136   -8386.8136   -8475.0967   -8475.0967    341.66461    341.66461    23792.514    23792.514    1626.3784    1626.3784 
Loop time of 156.341 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.553 ns/day, 43.428 hours/ns, 6.396 timesteps/s
99.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 156.06     | 156.06     | 156.06     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04326    | 0.04326    | 0.04326    |   0.0 |  0.03
Output  | 0.00018217 | 0.00018217 | 0.00018217 |   0.0 |  0.00
Modify  | 0.2022     | 0.2022     | 0.2022     |   0.0 |  0.13
Other   |            | 0.03187    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4121.00 ave        4121 max        4121 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239488.0 ave      239488 max      239488 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239488
Ave neighs/atom = 119.74400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.790452341092, Press = -2.64979004292345
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   16000   -8386.8136   -8386.8136   -8475.0967   -8475.0967    341.66461    341.66461    23792.514    23792.514    1626.3784    1626.3784 
   17000    -8385.267    -8385.267   -8473.0718   -8473.0718    339.81345    339.81345     23862.33     23862.33   -3027.7324   -3027.7324 
Loop time of 157.754 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.548 ns/day, 43.820 hours/ns, 6.339 timesteps/s
98.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 157.47     | 157.47     | 157.47     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.043259   | 0.043259   | 0.043259   |   0.0 |  0.03
Output  | 0.00010346 | 0.00010346 | 0.00010346 |   0.0 |  0.00
Modify  | 0.20485    | 0.20485    | 0.20485    |   0.0 |  0.13
Other   |            | 0.03166    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4123.00 ave        4123 max        4123 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239526.0 ave      239526 max      239526 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239526
Ave neighs/atom = 119.76300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.894122546291, Press = -0.554339157435415
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   17000    -8385.267    -8385.267   -8473.0718   -8473.0718    339.81345    339.81345     23862.33     23862.33   -3027.7324   -3027.7324 
   18000   -8389.7832   -8389.7832   -8474.7687   -8474.7687    328.90265    328.90265    23801.731    23801.731    650.79658    650.79658 
Loop time of 143.645 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.601 ns/day, 39.901 hours/ns, 6.962 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 143.39     | 143.39     | 143.39     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039177   | 0.039177   | 0.039177   |   0.0 |  0.03
Output  | 0.0001927  | 0.0001927  | 0.0001927  |   0.0 |  0.00
Modify  | 0.18701    | 0.18701    | 0.18701    |   0.0 |  0.13
Other   |            | 0.02794    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4126.00 ave        4126 max        4126 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238536.0 ave      238536 max      238536 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238536
Ave neighs/atom = 119.26800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.731909728821, Press = 7.11877518565697
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   18000   -8389.7832   -8389.7832   -8474.7687   -8474.7687    328.90265    328.90265    23801.731    23801.731    650.79658    650.79658 
   19000   -8385.5548   -8385.5548   -8471.1363   -8471.1363    331.20926    331.20926     23796.93     23796.93    1651.7224    1651.7224 
Loop time of 147.891 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.584 ns/day, 41.081 hours/ns, 6.762 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 147.63     | 147.63     | 147.63     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040339   | 0.040339   | 0.040339   |   0.0 |  0.03
Output  | 0.00018308 | 0.00018308 | 0.00018308 |   0.0 |  0.00
Modify  | 0.19153    | 0.19153    | 0.19153    |   0.0 |  0.13
Other   |            | 0.02901    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4133.00 ave        4133 max        4133 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239620.0 ave      239620 max      239620 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239620
Ave neighs/atom = 119.81000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.585237565405, Press = -0.778050138075451
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   19000   -8385.5548   -8385.5548   -8471.1363   -8471.1363    331.20926    331.20926     23796.93     23796.93    1651.7224    1651.7224 
   20000    -8390.587    -8390.587   -8476.0365   -8476.0365    330.69829    330.69829     23821.67     23821.67   -862.02024   -862.02024 
Loop time of 156.667 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.551 ns/day, 43.519 hours/ns, 6.383 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 156.39     | 156.39     | 156.39     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04311    | 0.04311    | 0.04311    |   0.0 |  0.03
Output  | 0.00010089 | 0.00010089 | 0.00010089 |   0.0 |  0.00
Modify  | 0.20384    | 0.20384    | 0.20384    |   0.0 |  0.13
Other   |            | 0.03081    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4126.00 ave        4126 max        4126 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239988.0 ave      239988 max      239988 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239988
Ave neighs/atom = 119.99400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.521412643503, Press = 0.895042482606945
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   20000    -8390.587    -8390.587   -8476.0365   -8476.0365    330.69829    330.69829     23821.67     23821.67   -862.02024   -862.02024 
   21000   -8384.7326   -8384.7326   -8474.6181   -8474.6181    347.86638    347.86638    23818.664    23818.664   -200.98141   -200.98141 
Loop time of 187.293 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.461 ns/day, 52.026 hours/ns, 5.339 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 186.96     | 186.96     | 186.96     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.053044   | 0.053044   | 0.053044   |   0.0 |  0.03
Output  | 0.00010553 | 0.00010553 | 0.00010553 |   0.0 |  0.00
Modify  | 0.24643    | 0.24643    | 0.24643    |   0.0 |  0.13
Other   |            | 0.0388     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239170.0 ave      239170 max      239170 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239170
Ave neighs/atom = 119.58500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.640612336847, Press = 2.32029027150793
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   21000   -8384.7326   -8384.7326   -8474.6181   -8474.6181    347.86638    347.86638    23818.664    23818.664   -200.98141   -200.98141 
   22000   -8387.9672   -8387.9672    -8474.322    -8474.322    334.20213    334.20213    23807.481    23807.481    500.45946    500.45946 
Loop time of 141.905 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.609 ns/day, 39.418 hours/ns, 7.047 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 141.65     | 141.65     | 141.65     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039327   | 0.039327   | 0.039327   |   0.0 |  0.03
Output  | 9.2978e-05 | 9.2978e-05 | 9.2978e-05 |   0.0 |  0.00
Modify  | 0.18273    | 0.18273    | 0.18273    |   0.0 |  0.13
Other   |            | 0.02945    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4121.00 ave        4121 max        4121 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239488.0 ave      239488 max      239488 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239488
Ave neighs/atom = 119.74400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.689343305131, Press = 0.487868790415836
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   22000   -8387.9672   -8387.9672    -8474.322    -8474.322    334.20213    334.20213    23807.481    23807.481    500.45946    500.45946 
   23000   -8391.1684   -8391.1684   -8475.2797   -8475.2797    325.51933    325.51933     23828.71     23828.71   -1225.7056   -1225.7056 
Loop time of 135.562 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.637 ns/day, 37.656 hours/ns, 7.377 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 135.32     | 135.32     | 135.32     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.037442   | 0.037442   | 0.037442   |   0.0 |  0.03
Output  | 0.00017791 | 0.00017791 | 0.00017791 |   0.0 |  0.00
Modify  | 0.1716     | 0.1716     | 0.1716     |   0.0 |  0.13
Other   |            | 0.02794    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4126.00 ave        4126 max        4126 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239650.0 ave      239650 max      239650 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239650
Ave neighs/atom = 119.82500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.672474071325, Press = -0.373516892521638
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   23000   -8391.1684   -8391.1684   -8475.2797   -8475.2797    325.51933    325.51933     23828.71     23828.71   -1225.7056   -1225.7056 
   24000   -8387.1238   -8387.1238   -8473.3392   -8473.3392    333.66251    333.66251    23819.452    23819.452   -143.82778   -143.82778 
Loop time of 136.063 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.635 ns/day, 37.795 hours/ns, 7.350 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 135.83     | 135.83     | 135.83     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.037112   | 0.037112   | 0.037112   |   0.0 |  0.03
Output  | 9.2796e-05 | 9.2796e-05 | 9.2796e-05 |   0.0 |  0.00
Modify  | 0.17207    | 0.17207    | 0.17207    |   0.0 |  0.13
Other   |            | 0.02791    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4129.00 ave        4129 max        4129 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239118.0 ave      239118 max      239118 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239118
Ave neighs/atom = 119.55900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.614049568896, Press = 4.92571727825259
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   24000   -8387.1238   -8387.1238   -8473.3392   -8473.3392    333.66251    333.66251    23819.452    23819.452   -143.82778   -143.82778 
   25000   -8392.0826   -8392.0826   -8477.3694   -8477.3694    330.06856    330.06856    23768.628    23768.628    2758.3232    2758.3232 
Loop time of 141.649 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.610 ns/day, 39.347 hours/ns, 7.060 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 141.4      | 141.4      | 141.4      |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038256   | 0.038256   | 0.038256   |   0.0 |  0.03
Output  | 0.00018039 | 0.00018039 | 0.00018039 |   0.0 |  0.00
Modify  | 0.17809    | 0.17809    | 0.17809    |   0.0 |  0.13
Other   |            | 0.02894    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239344.0 ave      239344 max      239344 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239344
Ave neighs/atom = 119.67200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.563912984615, Press = -0.372029640287035
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   25000   -8392.0826   -8392.0826   -8477.3694   -8477.3694    330.06856    330.06856    23768.628    23768.628    2758.3232    2758.3232 
   26000   -8387.2753   -8387.2753   -8473.0774   -8473.0774    332.06305    332.06305      23848.6      23848.6   -2179.0415   -2179.0415 
Loop time of 179.324 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.482 ns/day, 49.812 hours/ns, 5.577 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 179.02     | 179.02     | 179.02     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04733    | 0.04733    | 0.04733    |   0.0 |  0.03
Output  | 9.8529e-05 | 9.8529e-05 | 9.8529e-05 |   0.0 |  0.00
Modify  | 0.22589    | 0.22589    | 0.22589    |   0.0 |  0.13
Other   |            | 0.0347     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4123.00 ave        4123 max        4123 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239884.0 ave      239884 max      239884 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239884
Ave neighs/atom = 119.94200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.500130120774, Press = -1.19505431830076
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   26000   -8387.2753   -8387.2753   -8473.0774   -8473.0774    332.06305    332.06305      23848.6      23848.6   -2179.0415   -2179.0415 
   27000   -8388.0288   -8388.0288   -8472.2578   -8472.2578    325.97491    325.97491    23810.577    23810.577    569.77081    569.77081 
Loop time of 135.954 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.636 ns/day, 37.765 hours/ns, 7.355 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 135.72     | 135.72     | 135.72     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.036873   | 0.036873   | 0.036873   |   0.0 |  0.03
Output  | 8.9787e-05 | 8.9787e-05 | 8.9787e-05 |   0.0 |  0.00
Modify  | 0.17216    | 0.17216    | 0.17216    |   0.0 |  0.13
Other   |            | 0.02804    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4127.00 ave        4127 max        4127 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239132.0 ave      239132 max      239132 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239132
Ave neighs/atom = 119.56600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.581830110167, Press = 2.63741951062519
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   27000   -8388.0288   -8388.0288   -8472.2578   -8472.2578    325.97491    325.97491    23810.577    23810.577    569.77081    569.77081 
   28000   -8387.2889   -8387.2889   -8475.6553   -8475.6553    341.98704    341.98704    23808.465    23808.465    477.73623    477.73623 
Loop time of 138.06 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.626 ns/day, 38.350 hours/ns, 7.243 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 137.82     | 137.82     | 137.82     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.036892   | 0.036892   | 0.036892   |   0.0 |  0.03
Output  | 8.7298e-05 | 8.7298e-05 | 8.7298e-05 |   0.0 |  0.00
Modify  | 0.1742     | 0.1742     | 0.1742     |   0.0 |  0.13
Other   |            | 0.02782    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4122.00 ave        4122 max        4122 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239596.0 ave      239596 max      239596 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239596
Ave neighs/atom = 119.79800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.587045174862, Press = 0.188379368487015
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   28000   -8387.2889   -8387.2889   -8475.6553   -8475.6553    341.98704    341.98704    23808.465    23808.465    477.73623    477.73623 
   29000   -8391.6796   -8391.6796   -8475.7392   -8475.7392    325.31915    325.31915    23815.773    23815.773   -286.93218   -286.93218 
Loop time of 137.833 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.627 ns/day, 38.287 hours/ns, 7.255 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 137.59     | 137.59     | 137.59     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.037276   | 0.037276   | 0.037276   |   0.0 |  0.03
Output  | 8.6368e-05 | 8.6368e-05 | 8.6368e-05 |   0.0 |  0.00
Modify  | 0.17469    | 0.17469    | 0.17469    |   0.0 |  0.13
Other   |            | 0.02802    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4130.00 ave        4130 max        4130 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239244.0 ave      239244 max      239244 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239244
Ave neighs/atom = 119.62200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.585394321881, Press = 0.807142051800474
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   29000   -8391.6796   -8391.6796   -8475.7392   -8475.7392    325.31915    325.31915    23815.773    23815.773   -286.93218   -286.93218 
   30000   -8386.6318   -8386.6318   -8471.8761   -8471.8761    329.90419    329.90419    23809.427    23809.427    763.06186    763.06186 
Loop time of 136.597 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.633 ns/day, 37.944 hours/ns, 7.321 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 136.36     | 136.36     | 136.36     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.036988   | 0.036988   | 0.036988   |   0.0 |  0.03
Output  | 0.00011132 | 0.00011132 | 0.00011132 |   0.0 |  0.00
Modify  | 0.17236    | 0.17236    | 0.17236    |   0.0 |  0.13
Other   |            | 0.02825    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4121.00 ave        4121 max        4121 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239302.0 ave      239302 max      239302 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239302
Ave neighs/atom = 119.65100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.450743615841, Press = 0.893992882049336
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   30000   -8386.6318   -8386.6318   -8471.8761   -8471.8761    329.90419    329.90419    23809.427    23809.427    763.06186    763.06186 
   31000   -8392.2421   -8392.2421   -8477.1945   -8477.1945    328.77438    328.77438    23804.431    23804.431    156.57854    156.57854 
Loop time of 138.664 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.623 ns/day, 38.518 hours/ns, 7.212 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 138.42     | 138.42     | 138.42     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.037344   | 0.037344   | 0.037344   |   0.0 |  0.03
Output  | 9.3791e-05 | 9.3791e-05 | 9.3791e-05 |   0.0 |  0.00
Modify  | 0.17667    | 0.17667    | 0.17667    |   0.0 |  0.13
Other   |            | 0.02792    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4120.00 ave        4120 max        4120 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239284.0 ave      239284 max      239284 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239284
Ave neighs/atom = 119.64200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.441005336348, Press = -1.73351748095918
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   31000   -8392.2421   -8392.2421   -8477.1945   -8477.1945    328.77438    328.77438    23804.431    23804.431    156.57854    156.57854 
   32000   -8386.9055   -8386.9055   -8472.8462   -8472.8462     332.5996     332.5996    23853.094    23853.094    -2447.017    -2447.017 
Loop time of 133 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.650 ns/day, 36.944 hours/ns, 7.519 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 132.77     | 132.77     | 132.77     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.036132   | 0.036132   | 0.036132   |   0.0 |  0.03
Output  | 8.6505e-05 | 8.6505e-05 | 8.6505e-05 |   0.0 |  0.00
Modify  | 0.1676     | 0.1676     | 0.1676     |   0.0 |  0.13
Other   |            | 0.02817    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4133.00 ave        4133 max        4133 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239520.0 ave      239520 max      239520 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239520
Ave neighs/atom = 119.76000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.377657500572, Press = 0.611090014726618
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   32000   -8386.9055   -8386.9055   -8472.8462   -8472.8462     332.5996     332.5996    23853.094    23853.094    -2447.017    -2447.017 
   33000   -8388.0923   -8388.0923   -8473.6758   -8473.6758    331.21702    331.21702    23786.991    23786.991    1967.0692    1967.0692 
Loop time of 131.975 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.655 ns/day, 36.660 hours/ns, 7.577 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.75     | 131.75     | 131.75     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.036136   | 0.036136   | 0.036136   |   0.0 |  0.03
Output  | 0.0001007  | 0.0001007  | 0.0001007  |   0.0 |  0.00
Modify  | 0.1649     | 0.1649     | 0.1649     |   0.0 |  0.12
Other   |            | 0.02749    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4124.00 ave        4124 max        4124 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238794.0 ave      238794 max      238794 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238794
Ave neighs/atom = 119.39700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.379947899888, Press = 3.04868213240277
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   33000   -8388.0923   -8388.0923   -8473.6758   -8473.6758    331.21702    331.21702    23786.991    23786.991    1967.0692    1967.0692 
   34000   -8392.5867   -8392.5867   -8476.1364   -8476.1364    323.34588    323.34588    23791.937    23791.937    1164.3919    1164.3919 
Loop time of 135.493 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.638 ns/day, 37.637 hours/ns, 7.380 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 135.26     | 135.26     | 135.26     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.036631   | 0.036631   | 0.036631   |   0.0 |  0.03
Output  | 9.3408e-05 | 9.3408e-05 | 9.3408e-05 |   0.0 |  0.00
Modify  | 0.17074    | 0.17074    | 0.17074    |   0.0 |  0.13
Other   |            | 0.02757    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4126.00 ave        4126 max        4126 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239756.0 ave      239756 max      239756 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239756
Ave neighs/atom = 119.87800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.34258224297, Press = -1.97439859942842
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   34000   -8392.5867   -8392.5867   -8476.1364   -8476.1364    323.34588    323.34588    23791.937    23791.937    1164.3919    1164.3919 
   35000   -8387.9315   -8387.9315   -8474.4461   -8474.4461    334.82017    334.82017    23839.879    23839.879   -1699.4978   -1699.4978 
Loop time of 137.162 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.630 ns/day, 38.101 hours/ns, 7.291 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 136.92     | 136.92     | 136.92     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.037066   | 0.037066   | 0.037066   |   0.0 |  0.03
Output  | 8.4484e-05 | 8.4484e-05 | 8.4484e-05 |   0.0 |  0.00
Modify  | 0.17286    | 0.17286    | 0.17286    |   0.0 |  0.13
Other   |            | 0.02766    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4128.00 ave        4128 max        4128 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239590.0 ave      239590 max      239590 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239590
Ave neighs/atom = 119.79500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.352683726249, Press = 0.997340214839904
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   35000   -8387.9315   -8387.9315   -8474.4461   -8474.4461    334.82017    334.82017    23839.879    23839.879   -1699.4978   -1699.4978 
   36000   -8391.6685   -8391.6685   -8474.3761   -8474.3761    320.08713    320.08713    23799.497    23799.497    1032.4524    1032.4524 
Loop time of 156.205 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.553 ns/day, 43.390 hours/ns, 6.402 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 155.93     | 155.93     | 155.93     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.042065   | 0.042065   | 0.042065   |   0.0 |  0.03
Output  | 0.00024189 | 0.00024189 | 0.00024189 |   0.0 |  0.00
Modify  | 0.1992     | 0.1992     | 0.1992     |   0.0 |  0.13
Other   |            | 0.03154    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4123.00 ave        4123 max        4123 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238796.0 ave      238796 max      238796 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238796
Ave neighs/atom = 119.39800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.407138543406, Press = 1.32341363552724
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   36000   -8391.6685   -8391.6685   -8474.3761   -8474.3761    320.08713    320.08713    23799.497    23799.497    1032.4524    1032.4524 
   37000   -8387.6121   -8387.6121   -8473.4748   -8473.4748     332.2973     332.2973    23812.469    23812.469     326.4146     326.4146 
Loop time of 147.088 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.587 ns/day, 40.858 hours/ns, 6.799 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 146.83     | 146.83     | 146.83     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039552   | 0.039552   | 0.039552   |   0.0 |  0.03
Output  | 0.0001062  | 0.0001062  | 0.0001062  |   0.0 |  0.00
Modify  | 0.19138    | 0.19138    | 0.19138    |   0.0 |  0.13
Other   |            | 0.03052    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4126.00 ave        4126 max        4126 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239630.0 ave      239630 max      239630 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239630
Ave neighs/atom = 119.81500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.386243955648, Press = -0.470283552939464
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   37000   -8387.6121   -8387.6121   -8473.4748   -8473.4748     332.2973     332.2973    23812.469    23812.469     326.4146     326.4146 
   38000   -8390.7117   -8390.7117   -8475.0863   -8475.0863    326.53835    326.53835    23819.874    23819.874   -492.12116   -492.12116 
Loop time of 142.701 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.605 ns/day, 39.639 hours/ns, 7.008 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 142.45     | 142.45     | 142.45     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0378     | 0.0378     | 0.0378     |   0.0 |  0.03
Output  | 0.00017396 | 0.00017396 | 0.00017396 |   0.0 |  0.00
Modify  | 0.18345    | 0.18345    | 0.18345    |   0.0 |  0.13
Other   |            | 0.0283     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4126.00 ave        4126 max        4126 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239516.0 ave      239516 max      239516 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239516
Ave neighs/atom = 119.75800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.319166230022, Press = 0.322809399807545
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   38000   -8390.7117   -8390.7117   -8475.0863   -8475.0863    326.53835    326.53835    23819.874    23819.874   -492.12116   -492.12116 
   39000   -8386.1609   -8386.1609   -8473.7681   -8473.7681    339.04902    339.04902    23814.594    23814.594    166.29012    166.29012 
Loop time of 143.327 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.603 ns/day, 39.813 hours/ns, 6.977 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 143.08     | 143.08     | 143.08     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03809    | 0.03809    | 0.03809    |   0.0 |  0.03
Output  | 0.00010412 | 0.00010412 | 0.00010412 |   0.0 |  0.00
Modify  | 0.18476    | 0.18476    | 0.18476    |   0.0 |  0.13
Other   |            | 0.02838    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4132.00 ave        4132 max        4132 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239430.0 ave      239430 max      239430 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239430
Ave neighs/atom = 119.71500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.303475962007, Press = 0.44150806005593
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   39000   -8386.1609   -8386.1609   -8473.7681   -8473.7681    339.04902    339.04902    23814.594    23814.594    166.29012    166.29012 
   40000   -8392.1641   -8392.1641   -8476.5223   -8476.5223    326.47514    326.47514    23808.978    23808.978   -98.939697   -98.939697 
Loop time of 141.561 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.610 ns/day, 39.322 hours/ns, 7.064 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 141.31     | 141.31     | 141.31     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038143   | 0.038143   | 0.038143   |   0.0 |  0.03
Output  | 9.6225e-05 | 9.6225e-05 | 9.6225e-05 |   0.0 |  0.00
Modify  | 0.18239    | 0.18239    | 0.18239    |   0.0 |  0.13
Other   |            | 0.0286     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4129.00 ave        4129 max        4129 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239472.0 ave      239472 max      239472 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239472
Ave neighs/atom = 119.73600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.249362627301, Press = -0.321873914973511
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   40000   -8392.1641   -8392.1641   -8476.5223   -8476.5223    326.47514    326.47514    23808.978    23808.978   -98.939697   -98.939697 
   41000    -8388.367    -8388.367    -8471.849    -8471.849    323.08383    323.08383    23815.807    23815.807    113.31434    113.31434 
Loop time of 143.454 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.602 ns/day, 39.848 hours/ns, 6.971 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 143.2      | 143.2      | 143.2      |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038207   | 0.038207   | 0.038207   |   0.0 |  0.03
Output  | 9.6858e-05 | 9.6858e-05 | 9.6858e-05 |   0.0 |  0.00
Modify  | 0.18526    | 0.18526    | 0.18526    |   0.0 |  0.13
Other   |            | 0.02811    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239436.0 ave      239436 max      239436 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239436
Ave neighs/atom = 119.71800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.239043975321, Press = 0.348906283775673
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   41000    -8388.367    -8388.367    -8471.849    -8471.849    323.08383    323.08383    23815.807    23815.807    113.31434    113.31434 
   42000   -8384.9981   -8384.9981   -8473.1475   -8473.1475     341.1472     341.1472    23788.899    23788.899    2135.3925    2135.3925 
Loop time of 142.102 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.608 ns/day, 39.473 hours/ns, 7.037 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 141.85     | 141.85     | 141.85     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.037891   | 0.037891   | 0.037891   |   0.0 |  0.03
Output  | 9.1252e-05 | 9.1252e-05 | 9.1252e-05 |   0.0 |  0.00
Modify  | 0.18289    | 0.18289    | 0.18289    |   0.0 |  0.13
Other   |            | 0.02831    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4133.00 ave        4133 max        4133 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239504.0 ave      239504 max      239504 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239504
Ave neighs/atom = 119.75200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.278118855795, Press = -0.242859751299368
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   42000   -8384.9981   -8384.9981   -8473.1475   -8473.1475     341.1472     341.1472    23788.899    23788.899    2135.3925    2135.3925 
   43000   -8387.7444   -8387.7444   -8474.8326   -8474.8326    337.04026    337.04026    23844.759    23844.759   -2047.8162   -2047.8162 
Loop time of 178.803 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.483 ns/day, 49.667 hours/ns, 5.593 timesteps/s
96.3% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 178.47     | 178.47     | 178.47     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.046601   | 0.046601   | 0.046601   |   0.0 |  0.03
Output  | 0.00010122 | 0.00010122 | 0.00010122 |   0.0 |  0.00
Modify  | 0.24677    | 0.24677    | 0.24677    |   0.0 |  0.14
Other   |            | 0.03586    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4122.00 ave        4122 max        4122 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239890.0 ave      239890 max      239890 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239890
Ave neighs/atom = 119.94500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.372905159083, Press = -2.06334560405024
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   43000   -8387.7444   -8387.7444   -8474.8326   -8474.8326    337.04026    337.04026    23844.759    23844.759   -2047.8162   -2047.8162 
   44000   -8384.6107   -8384.6107   -8473.6267   -8473.6267     344.5013     344.5013    23840.118    23840.118   -1507.5726   -1507.5726 
Loop time of 141.539 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.610 ns/day, 39.316 hours/ns, 7.065 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 141.29     | 141.29     | 141.29     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038324   | 0.038324   | 0.038324   |   0.0 |  0.03
Output  | 9.4935e-05 | 9.4935e-05 | 9.4935e-05 |   0.0 |  0.00
Modify  | 0.18345    | 0.18345    | 0.18345    |   0.0 |  0.13
Other   |            | 0.02998    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4121.00 ave        4121 max        4121 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238674.0 ave      238674 max      238674 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238674
Ave neighs/atom = 119.33700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.424392941365, Press = 1.91738535382425
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   44000   -8384.6107   -8384.6107   -8473.6267   -8473.6267     344.5013     344.5013    23840.118    23840.118   -1507.5726   -1507.5726 
   45000   -8389.0617   -8389.0617   -8473.3988   -8473.3988    326.39317    326.39317     23783.12     23783.12    2317.0372    2317.0372 
Loop time of 142.006 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.608 ns/day, 39.446 hours/ns, 7.042 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 141.75     | 141.75     | 141.75     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03838    | 0.03838    | 0.03838    |   0.0 |  0.03
Output  | 8.8432e-05 | 8.8432e-05 | 8.8432e-05 |   0.0 |  0.00
Modify  | 0.18421    | 0.18421    | 0.18421    |   0.0 |  0.13
Other   |            | 0.0292     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4124.00 ave        4124 max        4124 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239090.0 ave      239090 max      239090 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239090
Ave neighs/atom = 119.54500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.409443210532, Press = 0.137662838718949
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   45000   -8389.0617   -8389.0617   -8473.3988   -8473.3988    326.39317    326.39317     23783.12     23783.12    2317.0372    2317.0372 
   46000   -8389.7738   -8389.7738   -8474.3633   -8474.3633    327.37033    327.37033    23820.903    23820.903     -542.055     -542.055 
Loop time of 143.375 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.603 ns/day, 39.826 hours/ns, 6.975 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 143.12     | 143.12     | 143.12     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038328   | 0.038328   | 0.038328   |   0.0 |  0.03
Output  | 9.7101e-05 | 9.7101e-05 | 9.7101e-05 |   0.0 |  0.00
Modify  | 0.18546    | 0.18546    | 0.18546    |   0.0 |  0.13
Other   |            | 0.02898    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4123.00 ave        4123 max        4123 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239754.0 ave      239754 max      239754 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239754
Ave neighs/atom = 119.87700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.39279818323, Press = -0.818603904744878
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   46000   -8389.7738   -8389.7738   -8474.3633   -8474.3633    327.37033    327.37033    23820.903    23820.903     -542.055     -542.055 
   47000   -8386.7393   -8386.7393   -8475.1194   -8475.1194    342.03997    342.03997    23820.988    23820.988   -421.30976   -421.30976 
Loop time of 153.69 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.562 ns/day, 42.692 hours/ns, 6.507 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 153.41     | 153.41     | 153.41     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04142    | 0.04142    | 0.04142    |   0.0 |  0.03
Output  | 0.00010348 | 0.00010348 | 0.00010348 |   0.0 |  0.00
Modify  | 0.20997    | 0.20997    | 0.20997    |   0.0 |  0.14
Other   |            | 0.03146    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4123.00 ave        4123 max        4123 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239134.0 ave      239134 max      239134 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239134
Ave neighs/atom = 119.56700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.332816553095, Press = 0.401404782903929
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   47000   -8386.7393   -8386.7393   -8475.1194   -8475.1194    342.03997    342.03997    23820.988    23820.988   -421.30976   -421.30976 
   48000   -8390.5934   -8390.5934   -8475.0508   -8475.0508    326.85874    326.85874    23799.578    23799.578    704.00763    704.00763 
Loop time of 154.779 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.558 ns/day, 42.994 hours/ns, 6.461 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    | 154.5      | 154.5      | 154.5      |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.042033   | 0.042033   | 0.042033   |   0.0 |  0.03
Output  | 9.87e-05   | 9.87e-05   | 9.87e-05   |   0.0 |  0.00
Modify  | 0.20144    | 0.20144    | 0.20144    |   0.0 |  0.13
Other   |            | 0.03326    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4122.00 ave        4122 max        4122 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239212.0 ave      239212 max      239212 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239212
Ave neighs/atom = 119.60600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.322767042848, Press = -0.128212601336493
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   48000   -8390.5934   -8390.5934   -8475.0508   -8475.0508    326.85874    326.85874    23799.578    23799.578    704.00763    704.00763 
   49000     -8391.34     -8391.34   -8476.7588   -8476.7588    330.57977    330.57977    23817.014    23817.014   -650.85119   -650.85119 
Loop time of 148.735 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.581 ns/day, 41.315 hours/ns, 6.723 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 148.47     | 148.47     | 148.47     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039612   | 0.039612   | 0.039612   |   0.0 |  0.03
Output  | 9.2578e-05 | 9.2578e-05 | 9.2578e-05 |   0.0 |  0.00
Modify  | 0.19074    | 0.19074    | 0.19074    |   0.0 |  0.13
Other   |            | 0.03009    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4126.00 ave        4126 max        4126 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239526.0 ave      239526 max      239526 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239526
Ave neighs/atom = 119.76300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.342556279303, Press = -0.482492259544737
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   49000     -8391.34     -8391.34   -8476.7588   -8476.7588    330.57977    330.57977    23817.014    23817.014   -650.85119   -650.85119 
   50000   -8386.2803   -8386.2803   -8472.9944   -8472.9944    335.59275    335.59275    23819.174    23819.174   -131.63278   -131.63278 
Loop time of 151.346 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.571 ns/day, 42.040 hours/ns, 6.607 timesteps/s
99.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 151.07     | 151.07     | 151.07     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040443   | 0.040443   | 0.040443   |   0.0 |  0.03
Output  | 0.00016932 | 0.00016932 | 0.00016932 |   0.0 |  0.00
Modify  | 0.20661    | 0.20661    | 0.20661    |   0.0 |  0.14
Other   |            | 0.03069    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4127.00 ave        4127 max        4127 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239006.0 ave      239006 max      239006 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239006
Ave neighs/atom = 119.50300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.307561835697, Press = 0.10964644428618
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   50000   -8386.2803   -8386.2803   -8472.9944   -8472.9944    335.59275    335.59275    23819.174    23819.174   -131.63278   -131.63278 
   51000   -8389.7151   -8389.7151   -8474.5209   -8474.5209    328.20732    328.20732    23794.243    23794.243    1324.5077    1324.5077 
Loop time of 146.225 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.591 ns/day, 40.618 hours/ns, 6.839 timesteps/s
99.3% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 145.97     | 145.97     | 145.97     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038914   | 0.038914   | 0.038914   |   0.0 |  0.03
Output  | 9.4259e-05 | 9.4259e-05 | 9.4259e-05 |   0.0 |  0.00
Modify  | 0.18619    | 0.18619    | 0.18619    |   0.0 |  0.13
Other   |            | 0.02886    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4132.00 ave        4132 max        4132 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239516.0 ave      239516 max      239516 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239516
Ave neighs/atom = 119.75800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.273224821744, Press = -0.331750090707317
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   51000   -8389.7151   -8389.7151   -8474.5209   -8474.5209    328.20732    328.20732    23794.243    23794.243    1324.5077    1324.5077 
   52000   -8379.5567   -8379.5567   -8468.4051   -8468.4051    343.85251    343.85251    23870.006    23870.006   -2818.1819   -2818.1819 
Loop time of 143.355 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.603 ns/day, 39.821 hours/ns, 6.976 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 143.11     | 143.11     | 143.11     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038454   | 0.038454   | 0.038454   |   0.0 |  0.03
Output  | 9.2816e-05 | 9.2816e-05 | 9.2816e-05 |   0.0 |  0.00
Modify  | 0.18258    | 0.18258    | 0.18258    |   0.0 |  0.13
Other   |            | 0.02854    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4136.00 ave        4136 max        4136 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239588.0 ave      239588 max      239588 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239588
Ave neighs/atom = 119.79400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.295749707751, Press = -1.478844788559
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   52000   -8379.5567   -8379.5567   -8468.4051   -8468.4051    343.85251    343.85251    23870.006    23870.006   -2818.1819   -2818.1819 
   53000   -8391.3897   -8391.3897    -8475.221    -8475.221    324.43578    324.43578     23811.26     23811.26   -17.363298   -17.363298 
Loop time of 139.164 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.621 ns/day, 38.657 hours/ns, 7.186 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 138.92     | 138.92     | 138.92     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.037226   | 0.037226   | 0.037226   |   0.0 |  0.03
Output  | 9.7547e-05 | 9.7547e-05 | 9.7547e-05 |   0.0 |  0.00
Modify  | 0.17567    | 0.17567    | 0.17567    |   0.0 |  0.13
Other   |            | 0.02805    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238670.0 ave      238670 max      238670 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238670
Ave neighs/atom = 119.33500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.372517634044, Press = 1.73406298412561
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   53000   -8391.3897   -8391.3897    -8475.221    -8475.221    324.43578    324.43578     23811.26     23811.26   -17.363298   -17.363298 
   54000   -8387.0674   -8387.0674   -8472.7518   -8472.7518    331.60751    331.60751    23787.543    23787.543    2033.1938    2033.1938 
Loop time of 206.485 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.418 ns/day, 57.357 hours/ns, 4.843 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 206.12     | 206.12     | 206.12     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.05689    | 0.05689    | 0.05689    |   0.0 |  0.03
Output  | 0.00014613 | 0.00014613 | 0.00014613 |   0.0 |  0.00
Modify  | 0.26469    | 0.26469    | 0.26469    |   0.0 |  0.13
Other   |            | 0.04136    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4123.00 ave        4123 max        4123 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239314.0 ave      239314 max      239314 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239314
Ave neighs/atom = 119.65700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.342238061781, Press = -0.513865170938915
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   54000   -8387.0674   -8387.0674   -8472.7518   -8472.7518    331.60751    331.60751    23787.543    23787.543    2033.1938    2033.1938 
   55000   -8393.2245   -8393.2245   -8475.8637   -8475.8637    319.82254    319.82254    23821.506    23821.506   -773.38455   -773.38455 
Loop time of 202.464 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.427 ns/day, 56.240 hours/ns, 4.939 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    | 202.1      | 202.1      | 202.1      |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.056074   | 0.056074   | 0.056074   |   0.0 |  0.03
Output  | 9.1272e-05 | 9.1272e-05 | 9.1272e-05 |   0.0 |  0.00
Modify  | 0.26722    | 0.26722    | 0.26722    |   0.0 |  0.13
Other   |            | 0.04371    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4132.00 ave        4132 max        4132 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239928.0 ave      239928 max      239928 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239928
Ave neighs/atom = 119.96400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.315015212723, Press = -0.6308062538003
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   55000   -8393.2245   -8393.2245   -8475.8637   -8475.8637    319.82254    319.82254    23821.506    23821.506   -773.38455   -773.38455 
   56000   -8386.4754   -8386.4754   -8472.0253   -8472.0253    331.08721    331.08721    23821.119    23821.119   -170.52918   -170.52918 
Loop time of 150.335 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.575 ns/day, 41.760 hours/ns, 6.652 timesteps/s
99.3% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 150.07     | 150.07     | 150.07     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040583   | 0.040583   | 0.040583   |   0.0 |  0.03
Output  | 0.00017059 | 0.00017059 | 0.00017059 |   0.0 |  0.00
Modify  | 0.19244    | 0.19244    | 0.19244    |   0.0 |  0.13
Other   |            | 0.03092    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4128.00 ave        4128 max        4128 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239194.0 ave      239194 max      239194 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239194
Ave neighs/atom = 119.59700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.305992656872, Press = 0.282882287992175
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   56000   -8386.4754   -8386.4754   -8472.0253   -8472.0253    331.08721    331.08721    23821.119    23821.119   -170.52918   -170.52918 
   57000   -8391.8108   -8391.8108   -8475.7482   -8475.7482    324.84632    324.84632     23804.96     23804.96    454.72087    454.72087 
Loop time of 141.33 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.611 ns/day, 39.258 hours/ns, 7.076 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 141.08     | 141.08     | 141.08     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038153   | 0.038153   | 0.038153   |   0.0 |  0.03
Output  | 9.8675e-05 | 9.8675e-05 | 9.8675e-05 |   0.0 |  0.00
Modify  | 0.1833     | 0.1833     | 0.1833     |   0.0 |  0.13
Other   |            | 0.02925    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4128.00 ave        4128 max        4128 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239310.0 ave      239310 max      239310 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239310
Ave neighs/atom = 119.65500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.277728251121, Press = -0.129003178574332
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   57000   -8391.8108   -8391.8108   -8475.7482   -8475.7482    324.84632    324.84632     23804.96     23804.96    454.72087    454.72087 
   58000   -8385.4784   -8385.4784   -8473.1402   -8473.1402    339.26043    339.26043    23816.781    23816.781    93.724607    93.724607 
Loop time of 140.594 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.615 ns/day, 39.054 hours/ns, 7.113 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 140.35     | 140.35     | 140.35     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.037853   | 0.037853   | 0.037853   |   0.0 |  0.03
Output  | 9.9671e-05 | 9.9671e-05 | 9.9671e-05 |   0.0 |  0.00
Modify  | 0.18187    | 0.18187    | 0.18187    |   0.0 |  0.13
Other   |            | 0.02859    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4121.00 ave        4121 max        4121 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239452.0 ave      239452 max      239452 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239452
Ave neighs/atom = 119.72600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.273264309918, Press = -0.50830562402123
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   58000   -8385.4784   -8385.4784   -8473.1402   -8473.1402    339.26043    339.26043    23816.781    23816.781    93.724607    93.724607 
   59000   -8389.2465   -8389.2465   -8473.5447   -8473.5447    326.24259    326.24259    23828.215    23828.215   -729.45576   -729.45576 
Loop time of 140.972 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.613 ns/day, 39.159 hours/ns, 7.094 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 140.72     | 140.72     | 140.72     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.037779   | 0.037779   | 0.037779   |   0.0 |  0.03
Output  | 0.00010189 | 0.00010189 | 0.00010189 |   0.0 |  0.00
Modify  | 0.18222    | 0.18222    | 0.18222    |   0.0 |  0.13
Other   |            | 0.02826    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4128.00 ave        4128 max        4128 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239338.0 ave      239338 max      239338 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239338
Ave neighs/atom = 119.66900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.237958819581, Press = -0.296305307088426
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   59000   -8389.2465   -8389.2465   -8473.5447   -8473.5447    326.24259    326.24259    23828.215    23828.215   -729.45576   -729.45576 
   60000   -8389.6699   -8389.6699   -8476.0371   -8476.0371    334.25018    334.25018    23800.181    23800.181    806.54682    806.54682 
Loop time of 139.351 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.620 ns/day, 38.709 hours/ns, 7.176 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 139.1      | 139.1      | 139.1      |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.037703   | 0.037703   | 0.037703   |   0.0 |  0.03
Output  | 9.7636e-05 | 9.7636e-05 | 9.7636e-05 |   0.0 |  0.00
Modify  | 0.18044    | 0.18044    | 0.18044    |   0.0 |  0.13
Other   |            | 0.02839    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239086.0 ave      239086 max      239086 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239086
Ave neighs/atom = 119.54300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.246301174999, Press = 0.667642781411357
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   60000   -8389.6699   -8389.6699   -8476.0371   -8476.0371    334.25018    334.25018    23800.181    23800.181    806.54682    806.54682 
   61000   -8388.2581   -8388.2581   -8476.5298   -8476.5298    341.62037    341.62037    23792.757    23792.757    1269.9318    1269.9318 
Loop time of 139.202 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.621 ns/day, 38.667 hours/ns, 7.184 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 138.96     | 138.96     | 138.96     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.037831   | 0.037831   | 0.037831   |   0.0 |  0.03
Output  | 9.6365e-05 | 9.6365e-05 | 9.6365e-05 |   0.0 |  0.00
Modify  | 0.18033    | 0.18033    | 0.18033    |   0.0 |  0.13
Other   |            | 0.02847    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4123.00 ave        4123 max        4123 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239452.0 ave      239452 max      239452 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239452
Ave neighs/atom = 119.72600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.220239811146, Press = -1.12301487716189
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   61000   -8388.2581   -8388.2581   -8476.5298   -8476.5298    341.62037    341.62037    23792.757    23792.757    1269.9318    1269.9318 
   62000   -8386.9676   -8386.9676   -8472.4262   -8472.4262    330.73362    330.73362    23862.595    23862.595   -2972.9448   -2972.9448 
Loop time of 143.296 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.603 ns/day, 39.804 hours/ns, 6.979 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 143.04     | 143.04     | 143.04     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038001   | 0.038001   | 0.038001   |   0.0 |  0.03
Output  | 9.6593e-05 | 9.6593e-05 | 9.6593e-05 |   0.0 |  0.00
Modify  | 0.18516    | 0.18516    | 0.18516    |   0.0 |  0.13
Other   |            | 0.02857    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4131.00 ave        4131 max        4131 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239588.0 ave      239588 max      239588 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239588
Ave neighs/atom = 119.79400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.256100949513, Press = -0.587779808494728
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   62000   -8386.9676   -8386.9676   -8472.4262   -8472.4262    330.73362    330.73362    23862.595    23862.595   -2972.9448   -2972.9448 
   63000   -8392.7573   -8392.7573   -8475.1213   -8475.1213    318.75708    318.75708    23790.467    23790.467    1383.3166    1383.3166 
Loop time of 141.473 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.611 ns/day, 39.298 hours/ns, 7.069 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 141.22     | 141.22     | 141.22     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.037915   | 0.037915   | 0.037915   |   0.0 |  0.03
Output  | 9.9442e-05 | 9.9442e-05 | 9.9442e-05 |   0.0 |  0.00
Modify  | 0.18388    | 0.18388    | 0.18388    |   0.0 |  0.13
Other   |            | 0.02873    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4129.00 ave        4129 max        4129 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238566.0 ave      238566 max      238566 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238566
Ave neighs/atom = 119.28300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.226248589407, Press = 1.27265035193708
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   63000   -8392.7573   -8392.7573   -8475.1213   -8475.1213    318.75708    318.75708    23790.467    23790.467    1383.3166    1383.3166 
   64000   -8386.9144   -8386.9144   -8475.7425   -8475.7425     343.7739     343.7739    23793.753    23793.753    1418.3625    1418.3625 
Loop time of 162.622 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.531 ns/day, 45.173 hours/ns, 6.149 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 162.34     | 162.34     | 162.34     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.044048   | 0.044048   | 0.044048   |   0.0 |  0.03
Output  | 0.00010023 | 0.00010023 | 0.00010023 |   0.0 |  0.00
Modify  | 0.2089     | 0.2089     | 0.2089     |   0.0 |  0.13
Other   |            | 0.03341    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239730.0 ave      239730 max      239730 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239730
Ave neighs/atom = 119.86500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.234428672691, Press = -0.959133251001593
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   64000   -8386.9144   -8386.9144   -8475.7425   -8475.7425     343.7739     343.7739    23793.753    23793.753    1418.3625    1418.3625 
   65000   -8386.0853   -8386.0853   -8472.1082   -8472.1082     332.9176     332.9176     23833.39     23833.39   -1025.3044   -1025.3044 
Loop time of 146.74 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.589 ns/day, 40.761 hours/ns, 6.815 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 146.48     | 146.48     | 146.48     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039271   | 0.039271   | 0.039271   |   0.0 |  0.03
Output  | 0.00011107 | 0.00011107 | 0.00011107 |   0.0 |  0.00
Modify  | 0.19086    | 0.19086    | 0.19086    |   0.0 |  0.13
Other   |            | 0.02976    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4129.00 ave        4129 max        4129 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239768.0 ave      239768 max      239768 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239768
Ave neighs/atom = 119.88400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.232841785924, Press = -0.515473092455782
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   65000   -8386.0853   -8386.0853   -8472.1082   -8472.1082     332.9176     332.9176     23833.39     23833.39   -1025.3044   -1025.3044 
   66000   -8388.1862   -8388.1862   -8473.9341   -8473.9341    331.85289    331.85289    23818.573    23818.573   -231.00995   -231.00995 
Loop time of 148.317 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.583 ns/day, 41.199 hours/ns, 6.742 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 148.06     | 148.06     | 148.06     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039769   | 0.039769   | 0.039769   |   0.0 |  0.03
Output  | 9.9817e-05 | 9.9817e-05 | 9.9817e-05 |   0.0 |  0.00
Modify  | 0.19248    | 0.19248    | 0.19248    |   0.0 |  0.13
Other   |            | 0.03       |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4123.00 ave        4123 max        4123 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239306.0 ave      239306 max      239306 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239306
Ave neighs/atom = 119.65300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.207614308653, Press = 0.0709273409086923
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   66000   -8388.1862   -8388.1862   -8473.9341   -8473.9341    331.85289    331.85289    23818.573    23818.573   -231.00995   -231.00995 
   67000   -8388.2077   -8388.2077   -8476.4339   -8476.4339    341.44453    341.44453    23800.915    23800.915    762.62019    762.62019 
Loop time of 163.277 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.529 ns/day, 45.355 hours/ns, 6.125 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 162.99     | 162.99     | 162.99     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.044092   | 0.044092   | 0.044092   |   0.0 |  0.03
Output  | 9.7731e-05 | 9.7731e-05 | 9.7731e-05 |   0.0 |  0.00
Modify  | 0.21127    | 0.21127    | 0.21127    |   0.0 |  0.13
Other   |            | 0.03272    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4123.00 ave        4123 max        4123 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239412.0 ave      239412 max      239412 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239412
Ave neighs/atom = 119.70600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.172116763528, Press = -0.345830701096882
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   67000   -8388.2077   -8388.2077   -8476.4339   -8476.4339    341.44453    341.44453    23800.915    23800.915    762.62019    762.62019 
   68000   -8389.5866   -8389.5866   -8475.3856   -8475.3856    332.05094    332.05094      23848.8      23848.8   -2494.1853   -2494.1853 
Loop time of 179.193 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.482 ns/day, 49.776 hours/ns, 5.581 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 178.88     | 178.88     | 178.88     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.048713   | 0.048713   | 0.048713   |   0.0 |  0.03
Output  | 0.00010494 | 0.00010494 | 0.00010494 |   0.0 |  0.00
Modify  | 0.2294     | 0.2294     | 0.2294     |   0.0 |  0.13
Other   |            | 0.03526    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4128.00 ave        4128 max        4128 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239420.0 ave      239420 max      239420 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239420
Ave neighs/atom = 119.71000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.181201956665, Press = -0.930688265865507
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   68000   -8389.5866   -8389.5866   -8475.3856   -8475.3856    332.05094    332.05094      23848.8      23848.8   -2494.1853   -2494.1853 
   69000   -8385.4779   -8385.4779   -8471.4842   -8471.4842    332.85315    332.85315    23816.133    23816.133    308.64463    308.64463 
Loop time of 144.017 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.600 ns/day, 40.005 hours/ns, 6.944 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 143.76     | 143.76     | 143.76     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038557   | 0.038557   | 0.038557   |   0.0 |  0.03
Output  | 0.00011033 | 0.00011033 | 0.00011033 |   0.0 |  0.00
Modify  | 0.18762    | 0.18762    | 0.18762    |   0.0 |  0.13
Other   |            | 0.02917    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4130.00 ave        4130 max        4130 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238988.0 ave      238988 max      238988 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238988
Ave neighs/atom = 119.49400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.185914091079, Press = 1.26810279585877
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   69000   -8385.4779   -8385.4779   -8471.4842   -8471.4842    332.85315    332.85315    23816.133    23816.133    308.64463    308.64463 
   70000    -8389.952    -8389.952   -8474.6655   -8474.6655    327.85027    327.85027    23777.701    23777.701    2535.8571    2535.8571 
Loop time of 142.744 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.605 ns/day, 39.651 hours/ns, 7.006 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 142.49     | 142.49     | 142.49     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038037   | 0.038037   | 0.038037   |   0.0 |  0.03
Output  | 9.7185e-05 | 9.7185e-05 | 9.7185e-05 |   0.0 |  0.00
Modify  | 0.18556    | 0.18556    | 0.18556    |   0.0 |  0.13
Other   |            | 0.02893    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239556.0 ave      239556 max      239556 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239556
Ave neighs/atom = 119.77800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.196373290797, Press = -0.768623451489371
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   70000    -8389.952    -8389.952   -8474.6655   -8474.6655    327.85027    327.85027    23777.701    23777.701    2535.8571    2535.8571 
   71000   -8387.1473   -8387.1473   -8474.8082   -8474.8082    339.25671    339.25671    23838.064    23838.064   -1548.6034   -1548.6034 
Loop time of 142.072 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.608 ns/day, 39.464 hours/ns, 7.039 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 141.82     | 141.82     | 141.82     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.037756   | 0.037756   | 0.037756   |   0.0 |  0.03
Output  | 0.00012005 | 0.00012005 | 0.00012005 |   0.0 |  0.00
Modify  | 0.18523    | 0.18523    | 0.18523    |   0.0 |  0.13
Other   |            | 0.02854    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4123.00 ave        4123 max        4123 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239792.0 ave      239792 max      239792 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239792
Ave neighs/atom = 119.89600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.201419959488, Press = -0.585778498421899
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   71000   -8387.1473   -8387.1473   -8474.8082   -8474.8082    339.25671    339.25671    23838.064    23838.064   -1548.6034   -1548.6034 
   72000   -8391.3808   -8391.3808   -8479.8607   -8479.8607    342.42647    342.42647    23810.234    23810.234   -287.65618   -287.65618 
Loop time of 141.551 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.610 ns/day, 39.320 hours/ns, 7.065 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 141.3      | 141.3      | 141.3      |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.037814   | 0.037814   | 0.037814   |   0.0 |  0.03
Output  | 9.9218e-05 | 9.9218e-05 | 9.9218e-05 |   0.0 |  0.00
Modify  | 0.18446    | 0.18446    | 0.18446    |   0.0 |  0.13
Other   |            | 0.02806    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4123.00 ave        4123 max        4123 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238886.0 ave      238886 max      238886 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238886
Ave neighs/atom = 119.44300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.170351194238, Press = 0.1706673781562
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   72000   -8391.3808   -8391.3808   -8479.8607   -8479.8607    342.42647    342.42647    23810.234    23810.234   -287.65618   -287.65618 
   73000   -8387.4015   -8387.4015   -8476.5701   -8476.5701    345.09178    345.09178    23813.554    23813.554   -60.409132   -60.409132 
Loop time of 155.823 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.554 ns/day, 43.284 hours/ns, 6.418 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 155.55     | 155.55     | 155.55     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.042256   | 0.042256   | 0.042256   |   0.0 |  0.03
Output  | 0.00010301 | 0.00010301 | 0.00010301 |   0.0 |  0.00
Modify  | 0.20059    | 0.20059    | 0.20059    |   0.0 |  0.13
Other   |            | 0.03149    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239062.0 ave      239062 max      239062 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239062
Ave neighs/atom = 119.53100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.177807177064, Press = -0.429645685179762
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   73000   -8387.4015   -8387.4015   -8476.5701   -8476.5701    345.09178    345.09178    23813.554    23813.554   -60.409132   -60.409132 
   74000   -8389.4212   -8389.4212   -8474.7114   -8474.7114    330.08182    330.08182    23822.092    23822.092   -667.28084   -667.28084 
Loop time of 147.725 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.585 ns/day, 41.035 hours/ns, 6.769 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 147.46     | 147.46     | 147.46     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039867   | 0.039867   | 0.039867   |   0.0 |  0.03
Output  | 9.6636e-05 | 9.6636e-05 | 9.6636e-05 |   0.0 |  0.00
Modify  | 0.19011    | 0.19011    | 0.19011    |   0.0 |  0.13
Other   |            | 0.0306     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4126.00 ave        4126 max        4126 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239290.0 ave      239290 max      239290 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239290
Ave neighs/atom = 119.64500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.171591372519, Press = -0.363867190777598
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   74000   -8389.4212   -8389.4212   -8474.7114   -8474.7114    330.08182    330.08182    23822.092    23822.092   -667.28084   -667.28084 
   75000   -8388.9853   -8388.9853   -8474.5244   -8474.5244    331.04508    331.04508    23804.035    23804.035    757.43374    757.43374 
Loop time of 141.253 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.612 ns/day, 39.237 hours/ns, 7.080 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 141        | 141        | 141        |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.037964   | 0.037964   | 0.037964   |   0.0 |  0.03
Output  | 9.5549e-05 | 9.5549e-05 | 9.5549e-05 |   0.0 |  0.00
Modify  | 0.18374    | 0.18374    | 0.18374    |   0.0 |  0.13
Other   |            | 0.02838    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4123.00 ave        4123 max        4123 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239240.0 ave      239240 max      239240 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239240
Ave neighs/atom = 119.62000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.213922536141, Press = 0.202504541800117
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   75000   -8388.9853   -8388.9853   -8474.5244   -8474.5244    331.04508    331.04508    23804.035    23804.035    757.43374    757.43374 
   76000   -8386.9315   -8386.9315   -8474.2155   -8474.2155    337.79811    337.79811    23796.009    23796.009    1402.8212    1402.8212 
Loop time of 141.418 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.611 ns/day, 39.283 hours/ns, 7.071 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 141.17     | 141.17     | 141.17     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038143   | 0.038143   | 0.038143   |   0.0 |  0.03
Output  | 9.6631e-05 | 9.6631e-05 | 9.6631e-05 |   0.0 |  0.00
Modify  | 0.18409    | 0.18409    | 0.18409    |   0.0 |  0.13
Other   |            | 0.02839    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4134.00 ave        4134 max        4134 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239426.0 ave      239426 max      239426 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239426
Ave neighs/atom = 119.71300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.249149060518, Press = -1.12300170337308
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   76000   -8386.9315   -8386.9315   -8474.2155   -8474.2155    337.79811    337.79811    23796.009    23796.009    1402.8212    1402.8212 
   77000    -8387.815    -8387.815   -8473.7972   -8473.7972    332.75971    332.75971    23867.977    23867.977   -3608.3407   -3608.3407 
Loop time of 141.249 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.612 ns/day, 39.236 hours/ns, 7.080 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 141        | 141        | 141        |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038002   | 0.038002   | 0.038002   |   0.0 |  0.03
Output  | 9.4484e-05 | 9.4484e-05 | 9.4484e-05 |   0.0 |  0.00
Modify  | 0.18338    | 0.18338    | 0.18338    |   0.0 |  0.13
Other   |            | 0.0281     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239684.0 ave      239684 max      239684 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239684
Ave neighs/atom = 119.84200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.275667282301, Press = -0.604729816625296
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   77000    -8387.815    -8387.815   -8473.7972   -8473.7972    332.75971    332.75971    23867.977    23867.977   -3608.3407   -3608.3407 
   78000   -8389.5818   -8389.5818   -8475.5231   -8475.5231    332.60183    332.60183    23793.455    23793.455    1227.9254    1227.9254 
Loop time of 135.799 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.636 ns/day, 37.722 hours/ns, 7.364 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 135.56     | 135.56     | 135.56     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.036776   | 0.036776   | 0.036776   |   0.0 |  0.03
Output  | 8.8823e-05 | 8.8823e-05 | 8.8823e-05 |   0.0 |  0.00
Modify  | 0.17516    | 0.17516    | 0.17516    |   0.0 |  0.13
Other   |            | 0.02798    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4121.00 ave        4121 max        4121 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238506.0 ave      238506 max      238506 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238506
Ave neighs/atom = 119.25300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.293901815116, Press = 0.562723038020082
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   78000   -8389.5818   -8389.5818   -8475.5231   -8475.5231    332.60183    332.60183    23793.455    23793.455    1227.9254    1227.9254 
   79000   -8385.9632   -8385.9632   -8471.6556   -8471.6556    331.63816    331.63816    23809.249    23809.249    716.07979    716.07979 
Loop time of 160.37 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.539 ns/day, 44.547 hours/ns, 6.236 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 160.09     | 160.09     | 160.09     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04275    | 0.04275    | 0.04275    |   0.0 |  0.03
Output  | 9.8915e-05 | 9.8915e-05 | 9.8915e-05 |   0.0 |  0.00
Modify  | 0.20394    | 0.20394    | 0.20394    |   0.0 |  0.13
Other   |            | 0.03264    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4122.00 ave        4122 max        4122 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239612.0 ave      239612 max      239612 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239612
Ave neighs/atom = 119.80600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.28677273259, Press = -0.671562903564818
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   79000   -8385.9632   -8385.9632   -8471.6556   -8471.6556    331.63816    331.63816    23809.249    23809.249    716.07979    716.07979 
   80000   -8390.4533   -8390.4533   -8475.7579   -8475.7579    330.13785    330.13785    23818.151    23818.151   -618.65142   -618.65142 
Loop time of 157.817 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.547 ns/day, 43.838 hours/ns, 6.336 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 157.54     | 157.54     | 157.54     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04291    | 0.04291    | 0.04291    |   0.0 |  0.03
Output  | 9.8289e-05 | 9.8289e-05 | 9.8289e-05 |   0.0 |  0.00
Modify  | 0.20424    | 0.20424    | 0.20424    |   0.0 |  0.13
Other   |            | 0.03203    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4128.00 ave        4128 max        4128 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239434.0 ave      239434 max      239434 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239434
Ave neighs/atom = 119.71700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.2820150538, Press = -0.346534518866517
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   80000   -8390.4533   -8390.4533   -8475.7579   -8475.7579    330.13785    330.13785    23818.151    23818.151   -618.65142   -618.65142 
   81000    -8387.065    -8387.065   -8472.5208   -8472.5208    330.72248    330.72248    23810.704    23810.704    411.70378    411.70378 
Loop time of 143.328 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.603 ns/day, 39.813 hours/ns, 6.977 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 143.07     | 143.07     | 143.07     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038708   | 0.038708   | 0.038708   |   0.0 |  0.03
Output  | 9.5659e-05 | 9.5659e-05 | 9.5659e-05 |   0.0 |  0.00
Modify  | 0.18544    | 0.18544    | 0.18544    |   0.0 |  0.13
Other   |            | 0.02863    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4128.00 ave        4128 max        4128 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239404.0 ave      239404 max      239404 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239404
Ave neighs/atom = 119.70200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.299005726182, Press = -0.289868164905746
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   81000    -8387.065    -8387.065   -8472.5208   -8472.5208    330.72248    330.72248    23810.704    23810.704    411.70378    411.70378 
   82000   -8388.5839   -8388.5839   -8474.0674   -8474.0674    330.83013    330.83013    23808.501    23808.501    292.59445    292.59445 
Loop time of 141.759 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.609 ns/day, 39.378 hours/ns, 7.054 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 141.51     | 141.51     | 141.51     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.037897   | 0.037897   | 0.037897   |   0.0 |  0.03
Output  | 9.3683e-05 | 9.3683e-05 | 9.3683e-05 |   0.0 |  0.00
Modify  | 0.18437    | 0.18437    | 0.18437    |   0.0 |  0.13
Other   |            | 0.02788    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4126.00 ave        4126 max        4126 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239540.0 ave      239540 max      239540 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239540
Ave neighs/atom = 119.77000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.310388706707, Press = -0.565849141843017
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   82000   -8388.5839   -8388.5839   -8474.0674   -8474.0674    330.83013    330.83013    23808.501    23808.501    292.59445    292.59445 
   83000   -8391.5763   -8391.5763   -8476.2788   -8476.2788    327.80726    327.80726    23825.574    23825.574   -1158.3502   -1158.3502 
Loop time of 147.26 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.587 ns/day, 40.906 hours/ns, 6.791 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 147        | 147        | 147        |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03934    | 0.03934    | 0.03934    |   0.0 |  0.03
Output  | 0.00021163 | 0.00021163 | 0.00021163 |   0.0 |  0.00
Modify  | 0.19054    | 0.19054    | 0.19054    |   0.0 |  0.13
Other   |            | 0.02943    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4137.00 ave        4137 max        4137 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239658.0 ave      239658 max      239658 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239658
Ave neighs/atom = 119.82900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.314370956431, Press = -0.506186931866135
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   83000   -8391.5763   -8391.5763   -8476.2788   -8476.2788    327.80726    327.80726    23825.574    23825.574   -1158.3502   -1158.3502 
   84000   -8387.7998   -8387.7998    -8473.113    -8473.113    330.17092    330.17092    23803.571    23803.571    888.75207    888.75207 
Loop time of 135.888 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.636 ns/day, 37.747 hours/ns, 7.359 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 135.65     | 135.65     | 135.65     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.037073   | 0.037073   | 0.037073   |   0.0 |  0.03
Output  | 9.8531e-05 | 9.8531e-05 | 9.8531e-05 |   0.0 |  0.00
Modify  | 0.17631    | 0.17631    | 0.17631    |   0.0 |  0.13
Other   |            | 0.02868    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4122.00 ave        4122 max        4122 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239078.0 ave      239078 max      239078 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239078
Ave neighs/atom = 119.53900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.283746383663, Press = 0.212689564256983
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   84000   -8387.7998   -8387.7998    -8473.113    -8473.113    330.17092    330.17092    23803.571    23803.571    888.75207    888.75207 
   85000   -8390.9039   -8390.9039    -8473.213    -8473.213    318.54459    318.54459    23783.968    23783.968    2125.6701    2125.6701 
Loop time of 131.96 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.655 ns/day, 36.656 hours/ns, 7.578 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.73     | 131.73     | 131.73     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.036059   | 0.036059   | 0.036059   |   0.0 |  0.03
Output  | 9.3789e-05 | 9.3789e-05 | 9.3789e-05 |   0.0 |  0.00
Modify  | 0.16803    | 0.16803    | 0.16803    |   0.0 |  0.13
Other   |            | 0.028      |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4128.00 ave        4128 max        4128 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239550.0 ave      239550 max      239550 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239550
Ave neighs/atom = 119.77500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.275494576016, Press = -1.11806941260086
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   85000   -8390.9039   -8390.9039    -8473.213    -8473.213    318.54459    318.54459    23783.968    23783.968    2125.6701    2125.6701 
   86000   -8385.8017   -8385.8017   -8470.9347   -8470.9347    329.47345    329.47345    23866.407    23866.407   -3207.7445   -3207.7445 
Loop time of 137.788 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.627 ns/day, 38.274 hours/ns, 7.258 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 137.55     | 137.55     | 137.55     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.037529   | 0.037529   | 0.037529   |   0.0 |  0.03
Output  | 0.00017277 | 0.00017277 | 0.00017277 |   0.0 |  0.00
Modify  | 0.17508    | 0.17508    | 0.17508    |   0.0 |  0.13
Other   |            | 0.02754    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4129.00 ave        4129 max        4129 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239826.0 ave      239826 max      239826 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239826
Ave neighs/atom = 119.91300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.245306911962, Press = -0.416764834056845
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   86000   -8385.8017   -8385.8017   -8470.9347   -8470.9347    329.47345    329.47345    23866.407    23866.407   -3207.7445   -3207.7445 
   87000   -8388.4174   -8388.4174    -8474.666    -8474.666    333.79101    333.79101    23790.591    23790.591    1671.0605    1671.0605 
Loop time of 154.983 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.557 ns/day, 43.051 hours/ns, 6.452 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 154.71     | 154.71     | 154.71     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.042626   | 0.042626   | 0.042626   |   0.0 |  0.03
Output  | 9.786e-05  | 9.786e-05  | 9.786e-05  |   0.0 |  0.00
Modify  | 0.20211    | 0.20211    | 0.20211    |   0.0 |  0.13
Other   |            | 0.03112    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4143.00 ave        4143 max        4143 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238730.0 ave      238730 max      238730 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238730
Ave neighs/atom = 119.36500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.265708576488, Press = 0.392218806161335
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   87000   -8388.4174   -8388.4174    -8474.666    -8474.666    333.79101    333.79101    23790.591    23790.591    1671.0605    1671.0605 
   88000   -8385.7226   -8385.7226   -8473.5372   -8473.5372    339.85189    339.85189    23812.333    23812.333    343.72937    343.72937 
Loop time of 157.013 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.550 ns/day, 43.615 hours/ns, 6.369 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 156.74     | 156.74     | 156.74     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.042418   | 0.042418   | 0.042418   |   0.0 |  0.03
Output  | 9.9644e-05 | 9.9644e-05 | 9.9644e-05 |   0.0 |  0.00
Modify  | 0.20187    | 0.20187    | 0.20187    |   0.0 |  0.13
Other   |            | 0.03145    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4123.00 ave        4123 max        4123 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239670.0 ave      239670 max      239670 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239670
Ave neighs/atom = 119.83500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.316243260945, Press = -0.64096604746392
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   88000   -8385.7226   -8385.7226   -8473.5372   -8473.5372    339.85189    339.85189    23812.333    23812.333    343.72937    343.72937 
   89000   -8387.5131   -8387.5131   -8473.6826   -8473.6826    333.48492    333.48492    23820.409    23820.409   -276.78731   -276.78731 
Loop time of 152.63 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.566 ns/day, 42.397 hours/ns, 6.552 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 152.36     | 152.36     | 152.36     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041198   | 0.041198   | 0.041198   |   0.0 |  0.03
Output  | 0.00016337 | 0.00016337 | 0.00016337 |   0.0 |  0.00
Modify  | 0.19781    | 0.19781    | 0.19781    |   0.0 |  0.13
Other   |            | 0.03043    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4130.00 ave        4130 max        4130 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239678.0 ave      239678 max      239678 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239678
Ave neighs/atom = 119.83900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.328149740544, Press = -0.347434059438604
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   89000   -8387.5131   -8387.5131   -8473.6826   -8473.6826    333.48492    333.48492    23820.409    23820.409   -276.78731   -276.78731 
   90000   -8385.2254   -8385.2254   -8473.5584   -8473.5584    341.85779    341.85779    23822.777    23822.777   -340.51616   -340.51616 
Loop time of 156.864 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.551 ns/day, 43.573 hours/ns, 6.375 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 156.59     | 156.59     | 156.59     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041889   | 0.041889   | 0.041889   |   0.0 |  0.03
Output  | 9.8725e-05 | 9.8725e-05 | 9.8725e-05 |   0.0 |  0.00
Modify  | 0.2022     | 0.2022     | 0.2022     |   0.0 |  0.13
Other   |            | 0.03222    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239282.0 ave      239282 max      239282 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239282
Ave neighs/atom = 119.64100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.359684889697, Press = -0.24430069296835
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   90000   -8385.2254   -8385.2254   -8473.5584   -8473.5584    341.85779    341.85779    23822.777    23822.777   -340.51616   -340.51616 
   91000   -8389.9018   -8389.9018   -8474.1142   -8474.1142     325.9104     325.9104    23799.494    23799.494    909.15281    909.15281 
Loop time of 180.75 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.478 ns/day, 50.208 hours/ns, 5.533 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 180.43     | 180.43     | 180.43     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0499     | 0.0499     | 0.0499     |   0.0 |  0.03
Output  | 0.00013842 | 0.00013842 | 0.00013842 |   0.0 |  0.00
Modify  | 0.23341    | 0.23341    | 0.23341    |   0.0 |  0.13
Other   |            | 0.03769    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4124.00 ave        4124 max        4124 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239318.0 ave      239318 max      239318 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239318
Ave neighs/atom = 119.65900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.379987179837, Press = -0.528828356200431
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   91000   -8389.9018   -8389.9018   -8474.1142   -8474.1142     325.9104     325.9104    23799.494    23799.494    909.15281    909.15281 
   92000    -8386.374    -8386.374   -8471.7089   -8471.7089    330.25468    330.25468    23832.486    23832.486    -757.1619    -757.1619 
Loop time of 209.307 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.413 ns/day, 58.141 hours/ns, 4.778 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 208.93     | 208.93     | 208.93     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.05714    | 0.05714    | 0.05714    |   0.0 |  0.03
Output  | 0.00010334 | 0.00010334 | 0.00010334 |   0.0 |  0.00
Modify  | 0.27261    | 0.27261    | 0.27261    |   0.0 |  0.13
Other   |            | 0.04526    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4131.00 ave        4131 max        4131 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239766.0 ave      239766 max      239766 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239766
Ave neighs/atom = 119.88300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.416187997503, Press = -0.619972307329459
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   92000    -8386.374    -8386.374   -8471.7089   -8471.7089    330.25468    330.25468    23832.486    23832.486    -757.1619    -757.1619 
   93000   -8388.2662   -8388.2662   -8475.0568   -8475.0568    335.88847    335.88847    23813.576    23813.576    97.266568    97.266568 
Loop time of 153.672 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.562 ns/day, 42.687 hours/ns, 6.507 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 153.4      | 153.4      | 153.4      |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041383   | 0.041383   | 0.041383   |   0.0 |  0.03
Output  | 9.7969e-05 | 9.7969e-05 | 9.7969e-05 |   0.0 |  0.00
Modify  | 0.19929    | 0.19929    | 0.19929    |   0.0 |  0.13
Other   |            | 0.03201    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4128.00 ave        4128 max        4128 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239164.0 ave      239164 max      239164 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239164
Ave neighs/atom = 119.58200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.446445908784, Press = 0.058602545252423
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   93000   -8388.2662   -8388.2662   -8475.0568   -8475.0568    335.88847    335.88847    23813.576    23813.576    97.266568    97.266568 
   94000   -8386.9738   -8386.9738   -8472.8046   -8472.8046    332.17388    332.17388    23781.742    23781.742    2461.5891    2461.5891 
Loop time of 159.77 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.541 ns/day, 44.380 hours/ns, 6.259 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 159.49     | 159.49     | 159.49     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.043495   | 0.043495   | 0.043495   |   0.0 |  0.03
Output  | 9.4521e-05 | 9.4521e-05 | 9.4521e-05 |   0.0 |  0.00
Modify  | 0.20804    | 0.20804    | 0.20804    |   0.0 |  0.13
Other   |            | 0.0323     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4121.00 ave        4121 max        4121 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239242.0 ave      239242 max      239242 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239242
Ave neighs/atom = 119.62100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.489965408473, Press = -0.852177674187224
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   94000   -8386.9738   -8386.9738   -8472.8046   -8472.8046    332.17388    332.17388    23781.742    23781.742    2461.5891    2461.5891 
   95000   -8385.5553   -8385.5553   -8471.4927   -8471.4927    332.58641    332.58641    23859.894    23859.894   -2672.5946   -2672.5946 
Loop time of 159.764 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.541 ns/day, 44.379 hours/ns, 6.259 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 159.48     | 159.48     | 159.48     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.043989   | 0.043989   | 0.043989   |   0.0 |  0.03
Output  | 0.00031615 | 0.00031615 | 0.00031615 |   0.0 |  0.00
Modify  | 0.20739    | 0.20739    | 0.20739    |   0.0 |  0.13
Other   |            | 0.03294    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4128.00 ave        4128 max        4128 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239816.0 ave      239816 max      239816 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239816
Ave neighs/atom = 119.90800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.495037224437, Press = -1.14552431950616
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   95000   -8385.5553   -8385.5553   -8471.4927   -8471.4927    332.58641    332.58641    23859.894    23859.894   -2672.5946   -2672.5946 
   96000   -8389.4935   -8389.4935   -8476.0905   -8476.0905    335.13932    335.13932    23813.271    23813.271    -196.3718    -196.3718 
Loop time of 257.118 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.336 ns/day, 71.422 hours/ns, 3.889 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 256.69     | 256.69     | 256.69     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.067681   | 0.067681   | 0.067681   |   0.0 |  0.03
Output  | 0.00010787 | 0.00010787 | 0.00010787 |   0.0 |  0.00
Modify  | 0.3149     | 0.3149     | 0.3149     |   0.0 |  0.12
Other   |            | 0.04624    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4129.00 ave        4129 max        4129 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238868.0 ave      238868 max      238868 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238868
Ave neighs/atom = 119.43400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.479761799109, Press = 0.448729639964011
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   96000   -8389.4935   -8389.4935   -8476.0905   -8476.0905    335.13932    335.13932    23813.271    23813.271    -196.3718    -196.3718 
   97000   -8387.2356   -8387.2356   -8474.2717   -8474.2717     336.8388     336.8388     23807.84     23807.84    534.46041    534.46041 
Loop time of 230.241 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.375 ns/day, 63.956 hours/ns, 4.343 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 229.85     | 229.85     | 229.85     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.061558   | 0.061558   | 0.061558   |   0.0 |  0.03
Output  | 0.0002952  | 0.0002952  | 0.0002952  |   0.0 |  0.00
Modify  | 0.28947    | 0.28947    | 0.28947    |   0.0 |  0.13
Other   |            | 0.04446    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4127.00 ave        4127 max        4127 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239394.0 ave      239394 max      239394 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239394
Ave neighs/atom = 119.69700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.462146332018, Press = -0.509029829919963
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   97000   -8387.2356   -8387.2356   -8474.2717   -8474.2717     336.8388     336.8388     23807.84     23807.84    534.46041    534.46041 
   98000   -8388.7733   -8388.7733   -8474.1319   -8474.1319     330.3469     330.3469    23821.898    23821.898   -429.88528   -429.88528 
Loop time of 216.83 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.398 ns/day, 60.231 hours/ns, 4.612 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 216.45     | 216.45     | 216.45     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.060347   | 0.060347   | 0.060347   |   0.0 |  0.03
Output  | 0.0001098  | 0.0001098  | 0.0001098  |   0.0 |  0.00
Modify  | 0.27669    | 0.27669    | 0.27669    |   0.0 |  0.13
Other   |            | 0.04321    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4130.00 ave        4130 max        4130 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239350.0 ave      239350 max      239350 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239350
Ave neighs/atom = 119.67500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.462233153954, Press = -0.487528003860995
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   98000   -8388.7733   -8388.7733   -8474.1319   -8474.1319     330.3469     330.3469    23821.898    23821.898   -429.88528   -429.88528 
   99000   -8388.3933   -8388.3933   -8475.1728   -8475.1728    335.84555    335.84555    23808.283    23808.283    334.29715    334.29715 
Loop time of 163.922 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.527 ns/day, 45.534 hours/ns, 6.100 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 163.62     | 163.62     | 163.62     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.046342   | 0.046342   | 0.046342   |   0.0 |  0.03
Output  | 9.5443e-05 | 9.5443e-05 | 9.5443e-05 |   0.0 |  0.00
Modify  | 0.21872    | 0.21872    | 0.21872    |   0.0 |  0.13
Other   |            | 0.03842    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4129.00 ave        4129 max        4129 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239072.0 ave      239072 max      239072 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239072
Ave neighs/atom = 119.53600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.479600697685, Press = -0.192118851176036
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   99000   -8388.3933   -8388.3933   -8475.1728   -8475.1728    335.84555    335.84555    23808.283    23808.283    334.29715    334.29715 
  100000   -8383.1024   -8383.1024   -8470.9553   -8470.9553    339.99998    339.99998    23803.972    23803.972    1312.7032    1312.7032 
Loop time of 140.008 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.617 ns/day, 38.891 hours/ns, 7.142 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 139.76     | 139.76     | 139.76     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.037773   | 0.037773   | 0.037773   |   0.0 |  0.03
Output  | 9.1354e-05 | 9.1354e-05 | 9.1354e-05 |   0.0 |  0.00
Modify  | 0.18191    | 0.18191    | 0.18191    |   0.0 |  0.13
Other   |            | 0.02941    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4128.00 ave        4128 max        4128 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239426.0 ave      239426 max      239426 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239426
Ave neighs/atom = 119.71300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.507421685549, Press = -0.825647007251847
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  100000   -8383.1024   -8383.1024   -8470.9553   -8470.9553    339.99998    339.99998    23803.972    23803.972    1312.7032    1312.7032 
  101000   -8387.8383   -8387.8383   -8472.8505   -8472.8505    329.00597    329.00597    23858.678    23858.678   -2887.6014   -2887.6014 
Loop time of 133.97 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.645 ns/day, 37.214 hours/ns, 7.464 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 133.73     | 133.73     | 133.73     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.036359   | 0.036359   | 0.036359   |   0.0 |  0.03
Output  | 9.3061e-05 | 9.3061e-05 | 9.3061e-05 |   0.0 |  0.00
Modify  | 0.17111    | 0.17111    | 0.17111    |   0.0 |  0.13
Other   |            | 0.02804    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4120.00 ave        4120 max        4120 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239686.0 ave      239686 max      239686 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239686
Ave neighs/atom = 119.84300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.528980667802, Press = -0.757569729074005
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  101000   -8387.8383   -8387.8383   -8472.8505   -8472.8505    329.00597    329.00597    23858.678    23858.678   -2887.6014   -2887.6014 
  102000   -8385.3236   -8385.3236     -8473.23     -8473.23    340.20687    340.20687    23804.942    23804.942    976.13945    976.13945 
Loop time of 133.311 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.648 ns/day, 37.031 hours/ns, 7.501 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 133.08     | 133.08     | 133.08     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.036604   | 0.036604   | 0.036604   |   0.0 |  0.03
Output  | 9.7259e-05 | 9.7259e-05 | 9.7259e-05 |   0.0 |  0.00
Modify  | 0.1707     | 0.1707     | 0.1707     |   0.0 |  0.13
Other   |            | 0.02781    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4127.00 ave        4127 max        4127 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238832.0 ave      238832 max      238832 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238832
Ave neighs/atom = 119.41600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.53097964221, Press = 0.427512849773648
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  102000   -8385.3236   -8385.3236     -8473.23     -8473.23    340.20687    340.20687    23804.942    23804.942    976.13945    976.13945 
  103000   -8388.3843   -8388.3843   -8473.1159   -8473.1159    327.92023    327.92023    23792.487    23792.487    1590.4339    1590.4339 
Loop time of 131.994 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.655 ns/day, 36.665 hours/ns, 7.576 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.76     | 131.76     | 131.76     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.036096   | 0.036096   | 0.036096   |   0.0 |  0.03
Output  | 9.6691e-05 | 9.6691e-05 | 9.6691e-05 |   0.0 |  0.00
Modify  | 0.16855    | 0.16855    | 0.16855    |   0.0 |  0.13
Other   |            | 0.02777    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4123.00 ave        4123 max        4123 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239588.0 ave      239588 max      239588 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239588
Ave neighs/atom = 119.79400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.540178677974, Press = -0.867308429353275
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  103000   -8388.3843   -8388.3843   -8473.1159   -8473.1159    327.92023    327.92023    23792.487    23792.487    1590.4339    1590.4339 
  104000   -8387.2834   -8387.2834   -8473.3963   -8473.3963    333.26582    333.26582    23826.888    23826.888   -852.49507   -852.49507 
Loop time of 133.869 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.645 ns/day, 37.186 hours/ns, 7.470 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 133.63     | 133.63     | 133.63     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.036709   | 0.036709   | 0.036709   |   0.0 |  0.03
Output  | 9.6111e-05 | 9.6111e-05 | 9.6111e-05 |   0.0 |  0.00
Modify  | 0.17325    | 0.17325    | 0.17325    |   0.0 |  0.13
Other   |            | 0.02803    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4127.00 ave        4127 max        4127 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239674.0 ave      239674 max      239674 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239674
Ave neighs/atom = 119.83700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.579236109316, Press = -0.552010832125717
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  104000   -8387.2834   -8387.2834   -8473.3963   -8473.3963    333.26582    333.26582    23826.888    23826.888   -852.49507   -852.49507 
  105000    -8387.164    -8387.164   -8472.5063   -8472.5063    330.28367    330.28367    23813.951    23813.951    374.04276    374.04276 
Loop time of 131.241 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.658 ns/day, 36.456 hours/ns, 7.620 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.01     | 131.01     | 131.01     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.036389   | 0.036389   | 0.036389   |   0.0 |  0.03
Output  | 8.9561e-05 | 8.9561e-05 | 8.9561e-05 |   0.0 |  0.00
Modify  | 0.16777    | 0.16777    | 0.16777    |   0.0 |  0.13
Other   |            | 0.02735    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4123.00 ave        4123 max        4123 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239288.0 ave      239288 max      239288 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239288
Ave neighs/atom = 119.64400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.598142253753, Press = -0.36575488254418
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  105000    -8387.164    -8387.164   -8472.5063   -8472.5063    330.28367    330.28367    23813.951    23813.951    374.04276    374.04276 
  106000   -8390.9433   -8390.9433   -8475.8071   -8475.8071    328.43156    328.43156    23814.509    23814.509   -202.54364   -202.54364 
Loop time of 138.935 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.622 ns/day, 38.593 hours/ns, 7.198 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 138.69     | 138.69     | 138.69     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038491   | 0.038491   | 0.038491   |   0.0 |  0.03
Output  | 9.4043e-05 | 9.4043e-05 | 9.4043e-05 |   0.0 |  0.00
Modify  | 0.17691    | 0.17691    | 0.17691    |   0.0 |  0.13
Other   |            | 0.02946    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4122.00 ave        4122 max        4122 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239570.0 ave      239570 max      239570 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239570
Ave neighs/atom = 119.78500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.617485838184, Press = -0.559907840351164
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  106000   -8390.9433   -8390.9433   -8475.8071   -8475.8071    328.43156    328.43156    23814.509    23814.509   -202.54364   -202.54364 
  107000   -8386.6691   -8386.6691   -8473.4752   -8473.4752    335.94867    335.94867    23833.998    23833.998   -1111.5929   -1111.5929 
Loop time of 130.383 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.663 ns/day, 36.218 hours/ns, 7.670 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 130.16     | 130.16     | 130.16     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035769   | 0.035769   | 0.035769   |   0.0 |  0.03
Output  | 0.00010404 | 0.00010404 | 0.00010404 |   0.0 |  0.00
Modify  | 0.16454    | 0.16454    | 0.16454    |   0.0 |  0.13
Other   |            | 0.02669    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4123.00 ave        4123 max        4123 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239166.0 ave      239166 max      239166 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239166
Ave neighs/atom = 119.58300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.607517138199, Press = -0.331911901100751
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  107000   -8386.6691   -8386.6691   -8473.4752   -8473.4752    335.94867    335.94867    23833.998    23833.998   -1111.5929   -1111.5929 
  108000   -8388.7937   -8388.7937   -8472.7527   -8472.7527    324.92986    324.92986    23786.808    23786.808    2004.7492    2004.7492 
Loop time of 132.609 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.652 ns/day, 36.836 hours/ns, 7.541 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 132.38     | 132.38     | 132.38     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.036086   | 0.036086   | 0.036086   |   0.0 |  0.03
Output  | 9.3986e-05 | 9.3986e-05 | 9.3986e-05 |   0.0 |  0.00
Modify  | 0.16723    | 0.16723    | 0.16723    |   0.0 |  0.13
Other   |            | 0.02744    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4127.00 ave        4127 max        4127 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239090.0 ave      239090 max      239090 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239090
Ave neighs/atom = 119.54500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.594738823773, Press = -0.0121235792206965
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  108000   -8388.7937   -8388.7937   -8472.7527   -8472.7527    324.92986    324.92986    23786.808    23786.808    2004.7492    2004.7492 
  109000   -8385.8122   -8385.8122   -8471.7726   -8471.7726    332.67574    332.67574    23810.008    23810.008     725.5818     725.5818 
Loop time of 133.24 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.648 ns/day, 37.011 hours/ns, 7.505 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 133.01     | 133.01     | 133.01     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.036336   | 0.036336   | 0.036336   |   0.0 |  0.03
Output  | 8.8235e-05 | 8.8235e-05 | 8.8235e-05 |   0.0 |  0.00
Modify  | 0.16954    | 0.16954    | 0.16954    |   0.0 |  0.13
Other   |            | 0.02742    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4128.00 ave        4128 max        4128 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      240014.0 ave      240014 max      240014 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 240014
Ave neighs/atom = 120.00700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.599549956724, Press = -1.15570733192196
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  109000   -8385.8122   -8385.8122   -8471.7726   -8471.7726    332.67574    332.67574    23810.008    23810.008     725.5818     725.5818 
  110000   -8390.0935   -8390.0935   -8474.0069   -8474.0069    324.75356    324.75356    23846.694    23846.694   -2273.3689   -2273.3689 
Loop time of 131.084 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.659 ns/day, 36.412 hours/ns, 7.629 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 130.86     | 130.86     | 130.86     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035611   | 0.035611   | 0.035611   |   0.0 |  0.03
Output  | 9.2556e-05 | 9.2556e-05 | 9.2556e-05 |   0.0 |  0.00
Modify  | 0.16432    | 0.16432    | 0.16432    |   0.0 |  0.13
Other   |            | 0.02625    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4124.00 ave        4124 max        4124 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239754.0 ave      239754 max      239754 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239754
Ave neighs/atom = 119.87700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.579448531113, Press = -0.431893733648988
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  110000   -8390.0935   -8390.0935   -8474.0069   -8474.0069    324.75356    324.75356    23846.694    23846.694   -2273.3689   -2273.3689 
  111000   -8386.6672   -8386.6672   -8474.0567   -8474.0567    338.20629    338.20629    23794.987    23794.987     1379.563     1379.563 
Loop time of 140.732 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.614 ns/day, 39.092 hours/ns, 7.106 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 140.48     | 140.48     | 140.48     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040504   | 0.040504   | 0.040504   |   0.0 |  0.03
Output  | 9.1943e-05 | 9.1943e-05 | 9.1943e-05 |   0.0 |  0.00
Modify  | 0.17907    | 0.17907    | 0.17907    |   0.0 |  0.13
Other   |            | 0.0299     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4121.00 ave        4121 max        4121 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238744.0 ave      238744 max      238744 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238744
Ave neighs/atom = 119.37200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.564625996176, Press = 0.188916631816564
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  111000   -8386.6672   -8386.6672   -8474.0567   -8474.0567    338.20629    338.20629    23794.987    23794.987     1379.563     1379.563 
  112000   -8388.6729   -8388.6729   -8475.1318   -8475.1318    334.60463    334.60463    23777.731    23777.731    2402.6128    2402.6128 
Loop time of 133.722 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.646 ns/day, 37.145 hours/ns, 7.478 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 133.49     | 133.49     | 133.49     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.037128   | 0.037128   | 0.037128   |   0.0 |  0.03
Output  | 0.00011725 | 0.00011725 | 0.00011725 |   0.0 |  0.00
Modify  | 0.16799    | 0.16799    | 0.16799    |   0.0 |  0.13
Other   |            | 0.02857    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239808.0 ave      239808 max      239808 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239808
Ave neighs/atom = 119.90400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.567909872452, Press = -1.5175093974391
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  112000   -8388.6729   -8388.6729   -8475.1318   -8475.1318    334.60463    334.60463    23777.731    23777.731    2402.6128    2402.6128 
  113000   -8383.0464   -8383.0464     -8472.27     -8472.27    345.30474    345.30474    23865.124    23865.124   -3121.3793   -3121.3793 
Loop time of 134.169 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.644 ns/day, 37.269 hours/ns, 7.453 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 133.93     | 133.93     | 133.93     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.036216   | 0.036216   | 0.036216   |   0.0 |  0.03
Output  | 0.00010113 | 0.00010113 | 0.00010113 |   0.0 |  0.00
Modify  | 0.17032    | 0.17032    | 0.17032    |   0.0 |  0.13
Other   |            | 0.02726    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239960.0 ave      239960 max      239960 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239960
Ave neighs/atom = 119.98000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.592056922285, Press = -0.470675118858171
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  113000   -8383.0464   -8383.0464     -8472.27     -8472.27    345.30474    345.30474    23865.124    23865.124   -3121.3793   -3121.3793 
  114000   -8389.8812   -8389.8812   -8474.8468   -8474.8468    328.82571    328.82571    23801.042    23801.042     787.5232     787.5232 
Loop time of 132.996 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.650 ns/day, 36.943 hours/ns, 7.519 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 132.76     | 132.76     | 132.76     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.036583   | 0.036583   | 0.036583   |   0.0 |  0.03
Output  | 9.3227e-05 | 9.3227e-05 | 9.3227e-05 |   0.0 |  0.00
Modify  | 0.16904    | 0.16904    | 0.16904    |   0.0 |  0.13
Other   |            | 0.0282     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4126.00 ave        4126 max        4126 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238798.0 ave      238798 max      238798 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238798
Ave neighs/atom = 119.39900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.612110173858, Press = 0.0061947579240309
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  114000   -8389.8812   -8389.8812   -8474.8468   -8474.8468    328.82571    328.82571    23801.042    23801.042     787.5232     787.5232 
  115000   -8387.1689   -8387.1689   -8472.6362   -8472.6362    330.76736    330.76736    23805.252    23805.252    880.50987    880.50987 
Loop time of 130.981 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.660 ns/day, 36.384 hours/ns, 7.635 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 130.75     | 130.75     | 130.75     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035844   | 0.035844   | 0.035844   |   0.0 |  0.03
Output  | 9.1377e-05 | 9.1377e-05 | 9.1377e-05 |   0.0 |  0.00
Modify  | 0.16537    | 0.16537    | 0.16537    |   0.0 |  0.13
Other   |            | 0.02727    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4127.00 ave        4127 max        4127 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239690.0 ave      239690 max      239690 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239690
Ave neighs/atom = 119.84500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.617374552225, Press = -0.737852121205854
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  115000   -8387.1689   -8387.1689   -8472.6362   -8472.6362    330.76736    330.76736    23805.252    23805.252    880.50987    880.50987 
  116000   -8387.9486   -8387.9486   -8472.5954   -8472.5954    327.59198    327.59198    23850.703    23850.703   -2244.0532   -2244.0532 
Loop time of 131.652 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.656 ns/day, 36.570 hours/ns, 7.596 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.42     | 131.42     | 131.42     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035708   | 0.035708   | 0.035708   |   0.0 |  0.03
Output  | 9.3685e-05 | 9.3685e-05 | 9.3685e-05 |   0.0 |  0.00
Modify  | 0.16639    | 0.16639    | 0.16639    |   0.0 |  0.13
Other   |            | 0.02816    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4124.00 ave        4124 max        4124 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239594.0 ave      239594 max      239594 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239594
Ave neighs/atom = 119.79700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.593424141214, Press = -0.560289868973442
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  116000   -8387.9486   -8387.9486   -8472.5954   -8472.5954    327.59198    327.59198    23850.703    23850.703   -2244.0532   -2244.0532 
  117000   -8390.0614   -8390.0614   -8475.6399   -8475.6399     331.1979     331.1979    23788.571    23788.571    1743.4634    1743.4634 
Loop time of 130.264 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.663 ns/day, 36.184 hours/ns, 7.677 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 130.04     | 130.04     | 130.04     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035509   | 0.035509   | 0.035509   |   0.0 |  0.03
Output  | 0.00035204 | 0.00035204 | 0.00035204 |   0.0 |  0.00
Modify  | 0.16243    | 0.16243    | 0.16243    |   0.0 |  0.12
Other   |            | 0.02735    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4130.00 ave        4130 max        4130 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238786.0 ave      238786 max      238786 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238786
Ave neighs/atom = 119.39300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.590647893673, Press = 0.773328435426412
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  117000   -8390.0614   -8390.0614   -8475.6399   -8475.6399     331.1979     331.1979    23788.571    23788.571    1743.4634    1743.4634 
  118000   -8388.9289   -8388.9289    -8474.911    -8474.911     332.7593     332.7593    23778.243    23778.243      2496.13      2496.13 
Loop time of 141.251 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.612 ns/day, 39.236 hours/ns, 7.080 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 141        | 141        | 141        |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039314   | 0.039314   | 0.039314   |   0.0 |  0.03
Output  | 8.7512e-05 | 8.7512e-05 | 8.7512e-05 |   0.0 |  0.00
Modify  | 0.17975    | 0.17975    | 0.17975    |   0.0 |  0.13
Other   |            | 0.02884    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4123.00 ave        4123 max        4123 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239468.0 ave      239468 max      239468 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239468
Ave neighs/atom = 119.73400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.559024853896, Press = -0.968829918654813
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  118000   -8388.9289   -8388.9289    -8474.911    -8474.911     332.7593     332.7593    23778.243    23778.243      2496.13      2496.13 
  119000   -8387.4322   -8387.4322    -8474.367    -8474.367    336.44687    336.44687    23839.152    23839.152   -1642.4511   -1642.4511 
Loop time of 131.721 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.656 ns/day, 36.589 hours/ns, 7.592 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.49     | 131.49     | 131.49     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03615    | 0.03615    | 0.03615    |   0.0 |  0.03
Output  | 9.0544e-05 | 9.0544e-05 | 9.0544e-05 |   0.0 |  0.00
Modify  | 0.16628    | 0.16628    | 0.16628    |   0.0 |  0.13
Other   |            | 0.0272     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4129.00 ave        4129 max        4129 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      240112.0 ave      240112 max      240112 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 240112
Ave neighs/atom = 120.05600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.57068110395, Press = -0.48498399895797
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  119000   -8387.4322   -8387.4322    -8474.367    -8474.367    336.44687    336.44687    23839.152    23839.152   -1642.4511   -1642.4511 
  120000   -8389.6265   -8389.6265   -8475.6337   -8475.6337    332.85667    332.85667    23802.762    23802.762    703.42903    703.42903 
Loop time of 135.023 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.640 ns/day, 37.506 hours/ns, 7.406 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 134.79     | 134.79     | 134.79     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.037069   | 0.037069   | 0.037069   |   0.0 |  0.03
Output  | 9.5999e-05 | 9.5999e-05 | 9.5999e-05 |   0.0 |  0.00
Modify  | 0.17124    | 0.17124    | 0.17124    |   0.0 |  0.13
Other   |            | 0.02759    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4124.00 ave        4124 max        4124 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239020.0 ave      239020 max      239020 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239020
Ave neighs/atom = 119.51000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.569752727493, Press = -0.0237661640553194
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  120000   -8389.6265   -8389.6265   -8475.6337   -8475.6337    332.85667    332.85667    23802.762    23802.762    703.42903    703.42903 
  121000   -8387.0451   -8387.0451    -8474.071    -8474.071    336.79945    336.79945    23807.966    23807.966    516.04113    516.04113 
Loop time of 131.321 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.658 ns/day, 36.478 hours/ns, 7.615 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.09     | 131.09     | 131.09     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035671   | 0.035671   | 0.035671   |   0.0 |  0.03
Output  | 9.4132e-05 | 9.4132e-05 | 9.4132e-05 |   0.0 |  0.00
Modify  | 0.16562    | 0.16562    | 0.16562    |   0.0 |  0.13
Other   |            | 0.02636    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4132.00 ave        4132 max        4132 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239496.0 ave      239496 max      239496 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239496
Ave neighs/atom = 119.74800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.570301348057, Press = -0.644799858292443
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  121000   -8387.0451   -8387.0451    -8474.071    -8474.071    336.79945    336.79945    23807.966    23807.966    516.04113    516.04113 
  122000   -8387.4887   -8387.4887   -8475.6694   -8475.6694    341.26871    341.26871    23859.504    23859.504   -3155.4473   -3155.4473 
Loop time of 131.241 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.658 ns/day, 36.456 hours/ns, 7.620 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.01     | 131.01     | 131.01     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035873   | 0.035873   | 0.035873   |   0.0 |  0.03
Output  | 9.8918e-05 | 9.8918e-05 | 9.8918e-05 |   0.0 |  0.00
Modify  | 0.16648    | 0.16648    | 0.16648    |   0.0 |  0.13
Other   |            | 0.02695    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4121.00 ave        4121 max        4121 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239534.0 ave      239534 max      239534 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239534
Ave neighs/atom = 119.76700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.588034720337, Press = -0.163110808147876
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  122000   -8387.4887   -8387.4887   -8475.6694   -8475.6694    341.26871    341.26871    23859.504    23859.504   -3155.4473   -3155.4473 
  123000   -8387.0074   -8387.0074   -8473.5761   -8473.5761    335.02985    335.02985    23775.288    23775.288    2853.3177    2853.3177 
Loop time of 129.462 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.667 ns/day, 35.962 hours/ns, 7.724 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 129.25     | 129.25     | 129.25     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034717   | 0.034717   | 0.034717   |   0.0 |  0.03
Output  | 8.7369e-05 | 8.7369e-05 | 8.7369e-05 |   0.0 |  0.00
Modify  | 0.15798    | 0.15798    | 0.15798    |   0.0 |  0.12
Other   |            | 0.02351    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4121.00 ave        4121 max        4121 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238658.0 ave      238658 max      238658 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238658
Ave neighs/atom = 119.32900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.622896038715, Press = 0.340070653239686
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  123000   -8387.0074   -8387.0074   -8473.5761   -8473.5761    335.02985    335.02985    23775.288    23775.288    2853.3177    2853.3177 
  124000   -8388.6742   -8388.6742   -8473.2971   -8473.2971    327.49931    327.49931    23801.285    23801.285    967.81029    967.81029 
Loop time of 131.517 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.657 ns/day, 36.532 hours/ns, 7.604 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.29     | 131.29     | 131.29     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035742   | 0.035742   | 0.035742   |   0.0 |  0.03
Output  | 8.9767e-05 | 8.9767e-05 | 8.9767e-05 |   0.0 |  0.00
Modify  | 0.16404    | 0.16404    | 0.16404    |   0.0 |  0.12
Other   |            | 0.02535    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4123.00 ave        4123 max        4123 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      240190.0 ave      240190 max      240190 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 240190
Ave neighs/atom = 120.09500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.629639694088, Press = -0.825669377293819
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  124000   -8388.6742   -8388.6742   -8473.2971   -8473.2971    327.49931    327.49931    23801.285    23801.285    967.81029    967.81029 
  125000    -8387.409    -8387.409   -8474.5754   -8474.5754    337.34292    337.34292    23852.049    23852.049   -2540.0799   -2540.0799 
Loop time of 131.796 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.656 ns/day, 36.610 hours/ns, 7.588 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.56     | 131.56     | 131.56     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.036312   | 0.036312   | 0.036312   |   0.0 |  0.03
Output  | 9.2834e-05 | 9.2834e-05 | 9.2834e-05 |   0.0 |  0.00
Modify  | 0.16829    | 0.16829    | 0.16829    |   0.0 |  0.13
Other   |            | 0.02702    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4126.00 ave        4126 max        4126 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239776.0 ave      239776 max      239776 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239776
Ave neighs/atom = 119.88800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.637772032099, Press = -0.360062400638289
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  125000    -8387.409    -8387.409   -8474.5754   -8474.5754    337.34292    337.34292    23852.049    23852.049   -2540.0799   -2540.0799 
  126000    -8387.223    -8387.223   -8473.0844   -8473.0844    332.29263    332.29263    23799.125    23799.125    1292.6865    1292.6865 
Loop time of 133.328 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.648 ns/day, 37.035 hours/ns, 7.500 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 133.1      | 133.1      | 133.1      |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035633   | 0.035633   | 0.035633   |   0.0 |  0.03
Output  | 8.9794e-05 | 8.9794e-05 | 8.9794e-05 |   0.0 |  0.00
Modify  | 0.1656     | 0.1656     | 0.1656     |   0.0 |  0.12
Other   |            | 0.0249     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4121.00 ave        4121 max        4121 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238588.0 ave      238588 max      238588 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238588
Ave neighs/atom = 119.29400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.643827341139, Press = 0.140842585819368
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  126000    -8387.223    -8387.223   -8473.0844   -8473.0844    332.29263    332.29263    23799.125    23799.125    1292.6865    1292.6865 
  127000   -8387.0639   -8387.0639   -8471.5572   -8471.5572    326.99803    326.99803    23799.409    23799.409    1362.6355    1362.6355 
Loop time of 140.646 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.614 ns/day, 39.068 hours/ns, 7.110 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 140.4      | 140.4      | 140.4      |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.037424   | 0.037424   | 0.037424   |   0.0 |  0.03
Output  | 0.00010477 | 0.00010477 | 0.00010477 |   0.0 |  0.00
Modify  | 0.17874    | 0.17874    | 0.17874    |   0.0 |  0.13
Other   |            | 0.02654    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4127.00 ave        4127 max        4127 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239768.0 ave      239768 max      239768 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239768
Ave neighs/atom = 119.88400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.676583749327, Press = -0.715949217698099
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  127000   -8387.0639   -8387.0639   -8471.5572   -8471.5572    326.99803    326.99803    23799.409    23799.409    1362.6355    1362.6355 
  128000   -8386.8681   -8386.8681   -8471.6495   -8471.6495    328.11283    328.11283    23860.945    23860.945   -2877.1249   -2877.1249 
Loop time of 144.902 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.596 ns/day, 40.251 hours/ns, 6.901 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 144.65     | 144.65     | 144.65     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039738   | 0.039738   | 0.039738   |   0.0 |  0.03
Output  | 9.8709e-05 | 9.8709e-05 | 9.8709e-05 |   0.0 |  0.00
Modify  | 0.1859     | 0.1859     | 0.1859     |   0.0 |  0.13
Other   |            | 0.02899    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4132.00 ave        4132 max        4132 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239856.0 ave      239856 max      239856 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239856
Ave neighs/atom = 119.92800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.682906257157, Press = -0.287474523650224
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  128000   -8386.8681   -8386.8681   -8471.6495   -8471.6495    328.11283    328.11283    23860.945    23860.945   -2877.1249   -2877.1249 
  129000   -8387.8983   -8387.8983   -8474.0674   -8474.0674     333.4831     333.4831    23790.892    23790.892    1704.1936    1704.1936 
Loop time of 155.329 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.556 ns/day, 43.147 hours/ns, 6.438 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 155.05     | 155.05     | 155.05     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.043846   | 0.043846   | 0.043846   |   0.0 |  0.03
Output  | 0.00010339 | 0.00010339 | 0.00010339 |   0.0 |  0.00
Modify  | 0.19952    | 0.19952    | 0.19952    |   0.0 |  0.13
Other   |            | 0.03133    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4130.00 ave        4130 max        4130 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238928.0 ave      238928 max      238928 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238928
Ave neighs/atom = 119.46400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.701193326914, Press = 0.3477313296786
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  129000   -8387.8983   -8387.8983   -8474.0674   -8474.0674     333.4831     333.4831    23790.892    23790.892    1704.1936    1704.1936 
  130000   -8390.3188   -8390.3188   -8476.1132   -8476.1132    332.03315    332.03315    23799.908    23799.908     883.7199     883.7199 
Loop time of 154.835 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.558 ns/day, 43.010 hours/ns, 6.458 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 154.57     | 154.57     | 154.57     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.042297   | 0.042297   | 0.042297   |   0.0 |  0.03
Output  | 0.00010754 | 0.00010754 | 0.00010754 |   0.0 |  0.00
Modify  | 0.19753    | 0.19753    | 0.19753    |   0.0 |  0.13
Other   |            | 0.03007    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4122.00 ave        4122 max        4122 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239828.0 ave      239828 max      239828 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239828
Ave neighs/atom = 119.91400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.707261575502, Press = -0.693573486821334
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  130000   -8390.3188   -8390.3188   -8476.1132   -8476.1132    332.03315    332.03315    23799.908    23799.908     883.7199     883.7199 
  131000   -8385.6948   -8385.6948   -8473.7964   -8473.7964    340.96228    340.96228    23838.111    23838.111   -1421.8272   -1421.8272 
Loop time of 144.108 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.600 ns/day, 40.030 hours/ns, 6.939 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 143.86     | 143.86     | 143.86     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03889    | 0.03889    | 0.03889    |   0.0 |  0.03
Output  | 9.9356e-05 | 9.9356e-05 | 9.9356e-05 |   0.0 |  0.00
Modify  | 0.18499    | 0.18499    | 0.18499    |   0.0 |  0.13
Other   |            | 0.02857    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4126.00 ave        4126 max        4126 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239278.0 ave      239278 max      239278 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239278
Ave neighs/atom = 119.63900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.707289628667, Press = -0.262852669909283
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  131000   -8385.6948   -8385.6948   -8473.7964   -8473.7964    340.96228    340.96228    23838.111    23838.111   -1421.8272   -1421.8272 
  132000   -8390.5863   -8390.5863   -8474.1403   -8474.1403    323.36241    323.36241    23799.384    23799.384    1002.3591    1002.3591 
Loop time of 139.491 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.619 ns/day, 38.748 hours/ns, 7.169 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 139.25     | 139.25     | 139.25     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.037763   | 0.037763   | 0.037763   |   0.0 |  0.03
Output  | 0.00010534 | 0.00010534 | 0.00010534 |   0.0 |  0.00
Modify  | 0.17928    | 0.17928    | 0.17928    |   0.0 |  0.13
Other   |            | 0.02783    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4121.00 ave        4121 max        4121 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239150.0 ave      239150 max      239150 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239150
Ave neighs/atom = 119.57500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.702778626996, Press = -0.174665520301141
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  132000   -8390.5863   -8390.5863   -8474.1403   -8474.1403    323.36241    323.36241    23799.384    23799.384    1002.3591    1002.3591 
  133000   -8384.9959   -8384.9959   -8473.2913   -8473.2913    341.71234    341.71234    23817.217    23817.217    87.874048    87.874048 
Loop time of 155.743 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.555 ns/day, 43.262 hours/ns, 6.421 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 155.47     | 155.47     | 155.47     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.043087   | 0.043087   | 0.043087   |   0.0 |  0.03
Output  | 0.00010913 | 0.00010913 | 0.00010913 |   0.0 |  0.00
Modify  | 0.19842    | 0.19842    | 0.19842    |   0.0 |  0.13
Other   |            | 0.03105    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239740.0 ave      239740 max      239740 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239740
Ave neighs/atom = 119.87000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.707319374367, Press = -0.578113172816542
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  133000   -8384.9959   -8384.9959   -8473.2913   -8473.2913    341.71234    341.71234    23817.217    23817.217    87.874048    87.874048 
  134000     -8389.67     -8389.67   -8475.9478   -8475.9478    333.90423    333.90423    23861.149    23861.149   -3448.8878   -3448.8878 
Loop time of 148.714 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.581 ns/day, 41.310 hours/ns, 6.724 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 148.45     | 148.45     | 148.45     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040404   | 0.040404   | 0.040404   |   0.0 |  0.03
Output  | 9.0865e-05 | 9.0865e-05 | 9.0865e-05 |   0.0 |  0.00
Modify  | 0.19228    | 0.19228    | 0.19228    |   0.0 |  0.13
Other   |            | 0.02964    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4132.00 ave        4132 max        4132 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239230.0 ave      239230 max      239230 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239230
Ave neighs/atom = 119.61500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.711772180989, Press = -0.193960039355117
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  134000     -8389.67     -8389.67   -8475.9478   -8475.9478    333.90423    333.90423    23861.149    23861.149   -3448.8878   -3448.8878 
  135000   -8388.8317   -8388.8317   -8474.9123   -8474.9123    333.14106    333.14106    23772.829    23772.829    2852.4568    2852.4568 
Loop time of 128.872 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.670 ns/day, 35.798 hours/ns, 7.760 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 128.65     | 128.65     | 128.65     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035495   | 0.035495   | 0.035495   |   0.0 |  0.03
Output  | 9.1766e-05 | 9.1766e-05 | 9.1766e-05 |   0.0 |  0.00
Modify  | 0.16281    | 0.16281    | 0.16281    |   0.0 |  0.13
Other   |            | 0.02675    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4131.00 ave        4131 max        4131 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238372.0 ave      238372 max      238372 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238372
Ave neighs/atom = 119.18600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.679896967514, Press = 0.313367347342852
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  135000   -8388.8317   -8388.8317   -8474.9123   -8474.9123    333.14106    333.14106    23772.829    23772.829    2852.4568    2852.4568 
  136000   -8389.7621   -8389.7621   -8475.4764   -8475.4764     331.7231     331.7231    23804.629    23804.629    559.75382    559.75382 
Loop time of 134.963 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.640 ns/day, 37.490 hours/ns, 7.409 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 134.73     | 134.73     | 134.73     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.037194   | 0.037194   | 0.037194   |   0.0 |  0.03
Output  | 9.3974e-05 | 9.3974e-05 | 9.3974e-05 |   0.0 |  0.00
Modify  | 0.17133    | 0.17133    | 0.17133    |   0.0 |  0.13
Other   |            | 0.02811    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4120.00 ave        4120 max        4120 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      240078.0 ave      240078 max      240078 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 240078
Ave neighs/atom = 120.03900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.688425691044, Press = -0.748850351174728
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  136000   -8389.7621   -8389.7621   -8475.4764   -8475.4764     331.7231     331.7231    23804.629    23804.629    559.75382    559.75382 
  137000   -8383.5345   -8383.5345   -8469.9396   -8469.9396    334.39665    334.39665    23844.846    23844.846   -1379.0904   -1379.0904 
Loop time of 129.387 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.668 ns/day, 35.941 hours/ns, 7.729 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 129.16     | 129.16     | 129.16     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035772   | 0.035772   | 0.035772   |   0.0 |  0.03
Output  | 9.3906e-05 | 9.3906e-05 | 9.3906e-05 |   0.0 |  0.00
Modify  | 0.16497    | 0.16497    | 0.16497    |   0.0 |  0.13
Other   |            | 0.027      |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4120.00 ave        4120 max        4120 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239512.0 ave      239512 max      239512 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239512
Ave neighs/atom = 119.75600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.705820536862, Press = -0.273400048889765
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  137000   -8383.5345   -8383.5345   -8469.9396   -8469.9396    334.39665    334.39665    23844.846    23844.846   -1379.0904   -1379.0904 
  138000   -8388.8177   -8388.8177   -8473.9046   -8473.9046    329.29519    329.29519    23804.533    23804.533    792.36542    792.36542 
Loop time of 130.535 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.662 ns/day, 36.260 hours/ns, 7.661 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 130.31     | 130.31     | 130.31     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.036256   | 0.036256   | 0.036256   |   0.0 |  0.03
Output  | 9.3943e-05 | 9.3943e-05 | 9.3943e-05 |   0.0 |  0.00
Modify  | 0.16531    | 0.16531    | 0.16531    |   0.0 |  0.13
Other   |            | 0.02691    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4127.00 ave        4127 max        4127 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239060.0 ave      239060 max      239060 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239060
Ave neighs/atom = 119.53000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.724437191887, Press = -0.118266084397748
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  138000   -8388.8177   -8388.8177   -8473.9046   -8473.9046    329.29519    329.29519    23804.533    23804.533    792.36542    792.36542 
  139000   -8384.2577   -8384.2577   -8470.6841   -8470.6841    334.47902    334.47902        23820        23820    139.72604    139.72604 
Loop time of 131.762 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.656 ns/day, 36.601 hours/ns, 7.589 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.53     | 131.53     | 131.53     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.036584   | 0.036584   | 0.036584   |   0.0 |  0.03
Output  | 0.00014761 | 0.00014761 | 0.00014761 |   0.0 |  0.00
Modify  | 0.16681    | 0.16681    | 0.16681    |   0.0 |  0.13
Other   |            | 0.02727    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4128.00 ave        4128 max        4128 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239512.0 ave      239512 max      239512 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239512
Ave neighs/atom = 119.75600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.74676555914, Press = -0.464989221085129
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  139000   -8384.2577   -8384.2577   -8470.6841   -8470.6841    334.47902    334.47902        23820        23820    139.72604    139.72604 
  140000   -8387.6374   -8387.6374   -8473.4644   -8473.4644    332.15959    332.15959    23833.307    23833.307   -1208.5339   -1208.5339 
Loop time of 197.057 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.438 ns/day, 54.738 hours/ns, 5.075 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 196.71     | 196.71     | 196.71     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.055741   | 0.055741   | 0.055741   |   0.0 |  0.03
Output  | 0.00010202 | 0.00010202 | 0.00010202 |   0.0 |  0.00
Modify  | 0.24808    | 0.24808    | 0.24808    |   0.0 |  0.13
Other   |            | 0.0408     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239336.0 ave      239336 max      239336 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239336
Ave neighs/atom = 119.66800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.750156642669, Press = -0.151780556340616
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  140000   -8387.6374   -8387.6374   -8473.4644   -8473.4644    332.15959    332.15959    23833.307    23833.307   -1208.5339   -1208.5339 
  141000      -8388.9      -8388.9    -8475.371    -8475.371    334.65194    334.65194     23771.97     23771.97    2813.4268    2813.4268 
Loop time of 134.105 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.644 ns/day, 37.251 hours/ns, 7.457 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 133.87     | 133.87     | 133.87     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.037327   | 0.037327   | 0.037327   |   0.0 |  0.03
Output  | 9.2928e-05 | 9.2928e-05 | 9.2928e-05 |   0.0 |  0.00
Modify  | 0.16993    | 0.16993    | 0.16993    |   0.0 |  0.13
Other   |            | 0.02887    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4120.00 ave        4120 max        4120 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239218.0 ave      239218 max      239218 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239218
Ave neighs/atom = 119.60900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.745307754486, Press = -0.00538533434270283
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  141000      -8388.9      -8388.9    -8475.371    -8475.371    334.65194    334.65194     23771.97     23771.97    2813.4268    2813.4268 
  142000   -8387.6235   -8387.6235   -8473.2758   -8473.2758    331.48303    331.48303    23815.014    23815.014    6.5353266    6.5353266 
Loop time of 217.112 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.398 ns/day, 60.309 hours/ns, 4.606 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 216.75     | 216.75     | 216.75     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.058437   | 0.058437   | 0.058437   |   0.0 |  0.03
Output  | 0.00015389 | 0.00015389 | 0.00015389 |   0.0 |  0.00
Modify  | 0.26342    | 0.26342    | 0.26342    |   0.0 |  0.12
Other   |            | 0.04176    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4132.00 ave        4132 max        4132 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239984.0 ave      239984 max      239984 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239984
Ave neighs/atom = 119.99200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.723861070365, Press = -1.12529097236382
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  142000   -8387.6235   -8387.6235   -8473.2758   -8473.2758    331.48303    331.48303    23815.014    23815.014    6.5353266    6.5353266 
  143000   -8390.6377   -8390.6377   -8475.7127   -8475.7127    329.24897    329.24897    23842.715    23842.715    -2203.028    -2203.028 
Loop time of 263.284 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.328 ns/day, 73.134 hours/ns, 3.798 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 262.85     | 262.85     | 262.85     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.070517   | 0.070517   | 0.070517   |   0.0 |  0.03
Output  | 0.00015112 | 0.00015112 | 0.00015112 |   0.0 |  0.00
Modify  | 0.31695    | 0.31695    | 0.31695    |   0.0 |  0.12
Other   |            | 0.04842    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4131.00 ave        4131 max        4131 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239332.0 ave      239332 max      239332 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239332
Ave neighs/atom = 119.66600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.730952870879, Press = -0.104974126852176
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  143000   -8390.6377   -8390.6377   -8475.7127   -8475.7127    329.24897    329.24897    23842.715    23842.715    -2203.028    -2203.028 
  144000   -8385.3842   -8385.3842   -8472.1525   -8472.1525    335.80239    335.80239    23804.918    23804.918    1109.6377    1109.6377 
Loop time of 214.833 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.402 ns/day, 59.676 hours/ns, 4.655 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 214.47     | 214.47     | 214.47     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.058237   | 0.058237   | 0.058237   |   0.0 |  0.03
Output  | 0.00010219 | 0.00010219 | 0.00010219 |   0.0 |  0.00
Modify  | 0.26168    | 0.26168    | 0.26168    |   0.0 |  0.12
Other   |            | 0.04131    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4126.00 ave        4126 max        4126 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238756.0 ave      238756 max      238756 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238756
Ave neighs/atom = 119.37800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.733645125085, Press = -0.153573177088608
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  144000   -8385.3842   -8385.3842   -8472.1525   -8472.1525    335.80239    335.80239    23804.918    23804.918    1109.6377    1109.6377 
  145000    -8392.052    -8392.052   -8477.8374   -8477.8374    331.99844    331.99844    23809.799    23809.799   -156.20911   -156.20911 
Loop time of 132.175 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.654 ns/day, 36.715 hours/ns, 7.566 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.94     | 131.94     | 131.94     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.036955   | 0.036955   | 0.036955   |   0.0 |  0.03
Output  | 0.00010002 | 0.00010002 | 0.00010002 |   0.0 |  0.00
Modify  | 0.16785    | 0.16785    | 0.16785    |   0.0 |  0.13
Other   |            | 0.03156    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4129.00 ave        4129 max        4129 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239682.0 ave      239682 max      239682 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239682
Ave neighs/atom = 119.84100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.725680159782, Press = -0.495468729653851
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  145000    -8392.052    -8392.052   -8477.8374   -8477.8374    331.99844    331.99844    23809.799    23809.799   -156.20911   -156.20911 
  146000   -8386.6696   -8386.6696   -8471.9612   -8471.9612    330.08702    330.08702    23835.238    23835.238   -1137.0949   -1137.0949 
Loop time of 131.235 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.658 ns/day, 36.454 hours/ns, 7.620 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.01     | 131.01     | 131.01     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.036062   | 0.036062   | 0.036062   |   0.0 |  0.03
Output  | 9.4234e-05 | 9.4234e-05 | 9.4234e-05 |   0.0 |  0.00
Modify  | 0.16494    | 0.16494    | 0.16494    |   0.0 |  0.13
Other   |            | 0.02799    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4120.00 ave        4120 max        4120 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239350.0 ave      239350 max      239350 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239350
Ave neighs/atom = 119.67500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.713247652776, Press = -0.102140242812344
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  146000   -8386.6696   -8386.6696   -8471.9612   -8471.9612    330.08702    330.08702    23835.238    23835.238   -1137.0949   -1137.0949 
  147000   -8391.6295   -8391.6295   -8477.5294   -8477.5294    332.44165    332.44165    23775.885    23775.885    2211.5546    2211.5546 
Loop time of 132.272 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.653 ns/day, 36.742 hours/ns, 7.560 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 132.04     | 132.04     | 132.04     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.036374   | 0.036374   | 0.036374   |   0.0 |  0.03
Output  | 9.1342e-05 | 9.1342e-05 | 9.1342e-05 |   0.0 |  0.00
Modify  | 0.16627    | 0.16627    | 0.16627    |   0.0 |  0.13
Other   |            | 0.02832    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239160.0 ave      239160 max      239160 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239160
Ave neighs/atom = 119.58000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.709116589525, Press = -0.0419628774809856
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  147000   -8391.6295   -8391.6295   -8477.5294   -8477.5294    332.44165    332.44165    23775.885    23775.885    2211.5546    2211.5546 
  148000   -8388.0632   -8388.0632   -8472.9313   -8472.9313    328.44862    328.44862    23815.445    23815.445    42.474993    42.474993 
Loop time of 131.653 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.656 ns/day, 36.570 hours/ns, 7.596 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.43     | 131.43     | 131.43     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035255   | 0.035255   | 0.035255   |   0.0 |  0.03
Output  | 9.2576e-05 | 9.2576e-05 | 9.2576e-05 |   0.0 |  0.00
Modify  | 0.15918    | 0.15918    | 0.15918    |   0.0 |  0.12
Other   |            | 0.0248     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4124.00 ave        4124 max        4124 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239836.0 ave      239836 max      239836 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239836
Ave neighs/atom = 119.91800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.71314959242, Press = -0.895901585752528
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  148000   -8388.0632   -8388.0632   -8472.9313   -8472.9313    328.44862    328.44862    23815.445    23815.445    42.474993    42.474993 
  149000   -8388.6641   -8388.6641   -8475.1639   -8475.1639    334.76334    334.76334    23849.714    23849.714   -2473.6077   -2473.6077 
Loop time of 132.154 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.654 ns/day, 36.710 hours/ns, 7.567 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.95     | 131.95     | 131.95     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034354   | 0.034354   | 0.034354   |   0.0 |  0.03
Output  | 9.7591e-05 | 9.7591e-05 | 9.7591e-05 |   0.0 |  0.00
Modify  | 0.15324    | 0.15324    | 0.15324    |   0.0 |  0.12
Other   |            | 0.02111    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4128.00 ave        4128 max        4128 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239444.0 ave      239444 max      239444 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239444
Ave neighs/atom = 119.72200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.720597372287, Press = -0.0935585975672159
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  149000   -8388.6641   -8388.6641   -8475.1639   -8475.1639    334.76334    334.76334    23849.714    23849.714   -2473.6077   -2473.6077 
  150000   -8388.2619   -8388.2619    -8474.309    -8474.309    333.01121    333.01121    23786.769    23786.769    1944.2583    1944.2583 
Loop time of 131.783 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.656 ns/day, 36.606 hours/ns, 7.588 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.56     | 131.56     | 131.56     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03593    | 0.03593    | 0.03593    |   0.0 |  0.03
Output  | 9.3073e-05 | 9.3073e-05 | 9.3073e-05 |   0.0 |  0.00
Modify  | 0.16311    | 0.16311    | 0.16311    |   0.0 |  0.12
Other   |            | 0.02582    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4123.00 ave        4123 max        4123 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238800.0 ave      238800 max      238800 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238800
Ave neighs/atom = 119.40000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.721512675778, Press = 0.0400758229141151
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  150000   -8388.2619   -8388.2619    -8474.309    -8474.309    333.01121    333.01121    23786.769    23786.769    1944.2583    1944.2583 
  151000   -8387.1784   -8387.1784   -8471.7211   -8471.7211    327.18902    327.18902    23806.044    23806.044    840.22916    840.22916 
Loop time of 132.965 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.650 ns/day, 36.935 hours/ns, 7.521 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 132.74     | 132.74     | 132.74     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.036285   | 0.036285   | 0.036285   |   0.0 |  0.03
Output  | 9.7937e-05 | 9.7937e-05 | 9.7937e-05 |   0.0 |  0.00
Modify  | 0.16346    | 0.16346    | 0.16346    |   0.0 |  0.12
Other   |            | 0.02588    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4129.00 ave        4129 max        4129 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239832.0 ave      239832 max      239832 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239832
Ave neighs/atom = 119.91600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.702463253066, Press = -0.751980153534381
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  151000   -8387.1784   -8387.1784   -8471.7211   -8471.7211    327.18902    327.18902    23806.044    23806.044    840.22916    840.22916 
  152000   -8391.0851   -8391.0851   -8476.0959   -8476.0959    329.00057    329.00057    23845.364    23845.364   -2463.9739   -2463.9739 
Loop time of 131.96 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.655 ns/day, 36.656 hours/ns, 7.578 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.75     | 131.75     | 131.75     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034818   | 0.034818   | 0.034818   |   0.0 |  0.03
Output  | 8.6826e-05 | 8.6826e-05 | 8.6826e-05 |   0.0 |  0.00
Modify  | 0.15506    | 0.15506    | 0.15506    |   0.0 |  0.12
Other   |            | 0.0218     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4129.00 ave        4129 max        4129 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239778.0 ave      239778 max      239778 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239778
Ave neighs/atom = 119.88900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.698289513583, Press = -0.209105133696702
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  152000   -8391.0851   -8391.0851   -8476.0959   -8476.0959    329.00057    329.00057    23845.364    23845.364   -2463.9739   -2463.9739 
  153000   -8387.6845   -8387.6845   -8473.6496   -8473.6496    332.69398    332.69398    23796.575    23796.575     1403.486     1403.486 
Loop time of 130.319 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.663 ns/day, 36.200 hours/ns, 7.673 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 130.1      | 130.1      | 130.1      |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034834   | 0.034834   | 0.034834   |   0.0 |  0.03
Output  | 0.00010112 | 0.00010112 | 0.00010112 |   0.0 |  0.00
Modify  | 0.15639    | 0.15639    | 0.15639    |   0.0 |  0.12
Other   |            | 0.02338    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238748.0 ave      238748 max      238748 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238748
Ave neighs/atom = 119.37400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.711057851438, Press = 0.0576214920520695
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  153000   -8387.6845   -8387.6845   -8473.6496   -8473.6496    332.69398    332.69398    23796.575    23796.575     1403.486     1403.486 
  154000   -8384.7296   -8384.7296   -8473.1639   -8473.1639       342.25       342.25    23809.485    23809.485    635.50507    635.50507 
Loop time of 132.256 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.653 ns/day, 36.738 hours/ns, 7.561 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 132.05     | 132.05     | 132.05     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034704   | 0.034704   | 0.034704   |   0.0 |  0.03
Output  | 9.3243e-05 | 9.3243e-05 | 9.3243e-05 |   0.0 |  0.00
Modify  | 0.15415    | 0.15415    | 0.15415    |   0.0 |  0.12
Other   |            | 0.0214     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4126.00 ave        4126 max        4126 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239806.0 ave      239806 max      239806 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239806
Ave neighs/atom = 119.90300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.724599856234, Press = -0.543258246918378
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  154000   -8384.7296   -8384.7296   -8473.1639   -8473.1639       342.25       342.25    23809.485    23809.485    635.50507    635.50507 
  155000   -8390.3498   -8390.3498   -8476.3635   -8476.3635    332.88179    332.88179    23834.193    23834.193   -1667.3628   -1667.3628 
Loop time of 131.564 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.657 ns/day, 36.545 hours/ns, 7.601 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.35     | 131.35     | 131.35     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034488   | 0.034488   | 0.034488   |   0.0 |  0.03
Output  | 9.6819e-05 | 9.6819e-05 | 9.6819e-05 |   0.0 |  0.00
Modify  | 0.15482    | 0.15482    | 0.15482    |   0.0 |  0.12
Other   |            | 0.02133    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4121.00 ave        4121 max        4121 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239388.0 ave      239388 max      239388 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239388
Ave neighs/atom = 119.69400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.742160305647, Press = -0.214957344100102
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  155000   -8390.3498   -8390.3498   -8476.3635   -8476.3635    332.88179    332.88179    23834.193    23834.193   -1667.3628   -1667.3628 
  156000   -8386.4112   -8386.4112   -8474.8517   -8474.8517    342.27371    342.27371    23787.649    23787.649    1904.7445    1904.7445 
Loop time of 129.22 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.669 ns/day, 35.894 hours/ns, 7.739 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 129.01     | 129.01     | 129.01     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033925   | 0.033925   | 0.033925   |   0.0 |  0.03
Output  | 8.7422e-05 | 8.7422e-05 | 8.7422e-05 |   0.0 |  0.00
Modify  | 0.15216    | 0.15216    | 0.15216    |   0.0 |  0.12
Other   |            | 0.02102    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4127.00 ave        4127 max        4127 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238986.0 ave      238986 max      238986 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238986
Ave neighs/atom = 119.49300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.747753809255, Press = 0.0710314891608868
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  156000   -8386.4112   -8386.4112   -8474.8517   -8474.8517    342.27371    342.27371    23787.649    23787.649    1904.7445    1904.7445 
  157000    -8387.926    -8387.926   -8474.6494   -8474.6494    335.62889    335.62889    23800.647    23800.647    835.72515    835.72515 
Loop time of 129.2 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.669 ns/day, 35.889 hours/ns, 7.740 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 128.99     | 128.99     | 128.99     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033787   | 0.033787   | 0.033787   |   0.0 |  0.03
Output  | 8.419e-05  | 8.419e-05  | 8.419e-05  |   0.0 |  0.00
Modify  | 0.15129    | 0.15129    | 0.15129    |   0.0 |  0.12
Other   |            | 0.02088    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4120.00 ave        4120 max        4120 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239830.0 ave      239830 max      239830 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239830
Ave neighs/atom = 119.91500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.753628368826, Press = -1.06695847882651
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  157000    -8387.926    -8387.926   -8474.6494   -8474.6494    335.62889    335.62889    23800.647    23800.647    835.72515    835.72515 
  158000   -8384.5945   -8384.5945   -8470.9269   -8470.9269    334.11503    334.11503    23860.837    23860.837   -2655.4413   -2655.4413 
Loop time of 129.343 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.668 ns/day, 35.929 hours/ns, 7.731 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 129.14     | 129.14     | 129.14     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033888   | 0.033888   | 0.033888   |   0.0 |  0.03
Output  | 8.9302e-05 | 8.9302e-05 | 8.9302e-05 |   0.0 |  0.00
Modify  | 0.15098    | 0.15098    | 0.15098    |   0.0 |  0.12
Other   |            | 0.02097    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4123.00 ave        4123 max        4123 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239740.0 ave      239740 max      239740 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239740
Ave neighs/atom = 119.87000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.746871829316, Press = -0.113661840705065
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  158000   -8384.5945   -8384.5945   -8470.9269   -8470.9269    334.11503    334.11503    23860.837    23860.837   -2655.4413   -2655.4413 
  159000   -8393.0249   -8393.0249   -8475.6158   -8475.6158    319.63513    319.63513    23789.439    23789.439    1379.8517    1379.8517 
Loop time of 130.776 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.661 ns/day, 36.327 hours/ns, 7.647 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 130.56     | 130.56     | 130.56     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034774   | 0.034774   | 0.034774   |   0.0 |  0.03
Output  | 8.6636e-05 | 8.6636e-05 | 8.6636e-05 |   0.0 |  0.00
Modify  | 0.15671    | 0.15671    | 0.15671    |   0.0 |  0.12
Other   |            | 0.02272    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4130.00 ave        4130 max        4130 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238670.0 ave      238670 max      238670 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238670
Ave neighs/atom = 119.33500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.744970345735, Press = -0.0936142720798671
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  159000   -8393.0249   -8393.0249   -8475.6158   -8475.6158    319.63513    319.63513    23789.439    23789.439    1379.8517    1379.8517 
  160000   -8386.3158   -8386.3158   -8471.6093   -8471.6093    330.09469    330.09469    23813.815    23813.815    425.39445    425.39445 
Loop time of 129.914 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.665 ns/day, 36.087 hours/ns, 7.697 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 129.7      | 129.7      | 129.7      |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034537   | 0.034537   | 0.034537   |   0.0 |  0.03
Output  | 9.2681e-05 | 9.2681e-05 | 9.2681e-05 |   0.0 |  0.00
Modify  | 0.154      | 0.154      | 0.154      |   0.0 |  0.12
Other   |            | 0.022      |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239602.0 ave      239602 max      239602 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239602
Ave neighs/atom = 119.80100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.733267467058, Press = -0.508176863586481
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  160000   -8386.3158   -8386.3158   -8471.6093   -8471.6093    330.09469    330.09469    23813.815    23813.815    425.39445    425.39445 
  161000    -8389.539    -8389.539   -8475.5146   -8475.5146    332.73447    332.73447    23837.793    23837.793   -1832.3302   -1832.3302 
Loop time of 132.346 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.653 ns/day, 36.763 hours/ns, 7.556 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 132.13     | 132.13     | 132.13     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035574   | 0.035574   | 0.035574   |   0.0 |  0.03
Output  | 9.286e-05  | 9.286e-05  | 9.286e-05  |   0.0 |  0.00
Modify  | 0.1605     | 0.1605     | 0.1605     |   0.0 |  0.12
Other   |            | 0.02442    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239412.0 ave      239412 max      239412 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239412
Ave neighs/atom = 119.70600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.726029560854, Press = -0.171289522066814
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  161000    -8389.539    -8389.539   -8475.5146   -8475.5146    332.73447    332.73447    23837.793    23837.793   -1832.3302   -1832.3302 
  162000   -8385.0542   -8385.0542   -8474.7015   -8474.7015    346.94418    346.94418    23788.036    23788.036    1993.2156    1993.2156 
Loop time of 132.486 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.652 ns/day, 36.802 hours/ns, 7.548 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 132.26     | 132.26     | 132.26     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035888   | 0.035888   | 0.035888   |   0.0 |  0.03
Output  | 8.6638e-05 | 8.6638e-05 | 8.6638e-05 |   0.0 |  0.00
Modify  | 0.16342    | 0.16342    | 0.16342    |   0.0 |  0.12
Other   |            | 0.02648    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4127.00 ave        4127 max        4127 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239040.0 ave      239040 max      239040 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239040
Ave neighs/atom = 119.52000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.732862125916, Press = 0.0843672548162192
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  162000   -8385.0542   -8385.0542   -8474.7015   -8474.7015    346.94418    346.94418    23788.036    23788.036    1993.2156    1993.2156 
  163000   -8389.2806   -8389.2806   -8473.8215   -8473.8215    327.18228    327.18228    23808.237    23808.237    396.99731    396.99731 
Loop time of 131.325 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.658 ns/day, 36.479 hours/ns, 7.615 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.12     | 131.12     | 131.12     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034389   | 0.034389   | 0.034389   |   0.0 |  0.03
Output  | 8.5996e-05 | 8.5996e-05 | 8.5996e-05 |   0.0 |  0.00
Modify  | 0.1533     | 0.1533     | 0.1533     |   0.0 |  0.12
Other   |            | 0.02087    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239558.0 ave      239558 max      239558 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239558
Ave neighs/atom = 119.77900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.746500765388, Press = -1.0467180800748
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  163000   -8389.2806   -8389.2806   -8473.8215   -8473.8215    327.18228    327.18228    23808.237    23808.237    396.99731    396.99731 
  164000   -8390.8403   -8390.8403   -8475.7871   -8475.7871    328.75282    328.75282    23840.757    23840.757    -2121.881    -2121.881 
Loop time of 131.387 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.658 ns/day, 36.496 hours/ns, 7.611 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.17     | 131.17     | 131.17     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035171   | 0.035171   | 0.035171   |   0.0 |  0.03
Output  | 9.2382e-05 | 9.2382e-05 | 9.2382e-05 |   0.0 |  0.00
Modify  | 0.15639    | 0.15639    | 0.15639    |   0.0 |  0.12
Other   |            | 0.02281    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4134.00 ave        4134 max        4134 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239500.0 ave      239500 max      239500 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239500
Ave neighs/atom = 119.75000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.755230681382, Press = -0.114271058485089
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  164000   -8390.8403   -8390.8403   -8475.7871   -8475.7871    328.75282    328.75282    23840.757    23840.757    -2121.881    -2121.881 
  165000   -8386.9954   -8386.9954   -8473.8414   -8473.8414    336.10299    336.10299    23806.611    23806.611    680.17869    680.17869 
Loop time of 130.683 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.661 ns/day, 36.301 hours/ns, 7.652 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 130.46     | 130.46     | 130.46     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035787   | 0.035787   | 0.035787   |   0.0 |  0.03
Output  | 0.00010734 | 0.00010734 | 0.00010734 |   0.0 |  0.00
Modify  | 0.16406    | 0.16406    | 0.16406    |   0.0 |  0.13
Other   |            | 0.02765    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4124.00 ave        4124 max        4124 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238890.0 ave      238890 max      238890 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238890
Ave neighs/atom = 119.44500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.743508720935, Press = -0.108834796574655
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  165000   -8386.9954   -8386.9954   -8473.8414   -8473.8414    336.10299    336.10299    23806.611    23806.611    680.17869    680.17869 
  166000   -8390.2095   -8390.2095    -8474.647    -8474.647    326.78186    326.78186    23801.241    23801.241    698.54631    698.54631 
Loop time of 152.889 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.565 ns/day, 42.469 hours/ns, 6.541 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 152.64     | 152.64     | 152.64     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041084   | 0.041084   | 0.041084   |   0.0 |  0.03
Output  | 8.455e-05  | 8.455e-05  | 8.455e-05  |   0.0 |  0.00
Modify  | 0.18506    | 0.18506    | 0.18506    |   0.0 |  0.12
Other   |            | 0.02818    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4127.00 ave        4127 max        4127 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239454.0 ave      239454 max      239454 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239454
Ave neighs/atom = 119.72700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.73333078857, Press = -0.462434572856309
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  166000   -8390.2095   -8390.2095    -8474.647    -8474.647    326.78186    326.78186    23801.241    23801.241    698.54631    698.54631 
  167000   -8384.8727   -8384.8727   -8474.2245   -8474.2245    345.80063    345.80063    23855.726    23855.726   -2788.7969   -2788.7969 
Loop time of 132.102 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.654 ns/day, 36.695 hours/ns, 7.570 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.89     | 131.89     | 131.89     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034897   | 0.034897   | 0.034897   |   0.0 |  0.03
Output  | 8.7372e-05 | 8.7372e-05 | 8.7372e-05 |   0.0 |  0.00
Modify  | 0.15604    | 0.15604    | 0.15604    |   0.0 |  0.12
Other   |            | 0.02182    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4122.00 ave        4122 max        4122 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239856.0 ave      239856 max      239856 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239856
Ave neighs/atom = 119.92800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.739165231891, Press = -0.265995076959058
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  167000   -8384.8727   -8384.8727   -8474.2245   -8474.2245    345.80063    345.80063    23855.726    23855.726   -2788.7969   -2788.7969 
  168000   -8391.7843   -8391.7843   -8476.8418   -8476.8418     329.1812     329.1812     23784.82     23784.82    1571.6241    1571.6241 
Loop time of 131.907 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.655 ns/day, 36.641 hours/ns, 7.581 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.69     | 131.69     | 131.69     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034589   | 0.034589   | 0.034589   |   0.0 |  0.03
Output  | 8.6414e-05 | 8.6414e-05 | 8.6414e-05 |   0.0 |  0.00
Modify  | 0.15559    | 0.15559    | 0.15559    |   0.0 |  0.12
Other   |            | 0.02166    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4121.00 ave        4121 max        4121 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238802.0 ave      238802 max      238802 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238802
Ave neighs/atom = 119.40100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.734922576758, Press = 0.28584288984859
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  168000   -8391.7843   -8391.7843   -8476.8418   -8476.8418     329.1812     329.1812     23784.82     23784.82    1571.6241    1571.6241 
  169000   -8387.4066   -8387.4066   -8474.5991   -8474.5991    337.44408    337.44408    23792.435    23792.435    1493.4584    1493.4584 
Loop time of 145.096 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.595 ns/day, 40.304 hours/ns, 6.892 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 144.85     | 144.85     | 144.85     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039171   | 0.039171   | 0.039171   |   0.0 |  0.03
Output  | 9.2977e-05 | 9.2977e-05 | 9.2977e-05 |   0.0 |  0.00
Modify  | 0.17776    | 0.17776    | 0.17776    |   0.0 |  0.12
Other   |            | 0.02854    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4129.00 ave        4129 max        4129 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239750.0 ave      239750 max      239750 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239750
Ave neighs/atom = 119.87500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.725375733466, Press = -0.747137687643591
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  169000   -8387.4066   -8387.4066   -8474.5991   -8474.5991    337.44408    337.44408    23792.435    23792.435    1493.4584    1493.4584 
  170000   -8386.3426   -8386.3426   -8472.4322   -8472.4322    333.17581    333.17581    23845.967    23845.967   -1905.4216   -1905.4216 
Loop time of 131.74 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.656 ns/day, 36.595 hours/ns, 7.591 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.53     | 131.53     | 131.53     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034857   | 0.034857   | 0.034857   |   0.0 |  0.03
Output  | 8.6681e-05 | 8.6681e-05 | 8.6681e-05 |   0.0 |  0.00
Modify  | 0.15585    | 0.15585    | 0.15585    |   0.0 |  0.12
Other   |            | 0.02213    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4122.00 ave        4122 max        4122 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239820.0 ave      239820 max      239820 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239820
Ave neighs/atom = 119.91000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.724723292853, Press = -0.178818011097865
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  170000   -8386.3426   -8386.3426   -8472.4322   -8472.4322    333.17581    333.17581    23845.967    23845.967   -1905.4216   -1905.4216 
  171000   -8394.8144   -8394.8144   -8478.0686   -8478.0686    322.20217    322.20217    23793.081    23793.081    818.78185    818.78185 
Loop time of 129.118 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.669 ns/day, 35.866 hours/ns, 7.745 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 128.91     | 128.91     | 128.91     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033816   | 0.033816   | 0.033816   |   0.0 |  0.03
Output  | 0.00010064 | 0.00010064 | 0.00010064 |   0.0 |  0.00
Modify  | 0.15171    | 0.15171    | 0.15171    |   0.0 |  0.12
Other   |            | 0.02105    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4126.00 ave        4126 max        4126 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238868.0 ave      238868 max      238868 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238868
Ave neighs/atom = 119.43400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.72087590871, Press = -0.105625899359337
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  171000   -8394.8144   -8394.8144   -8478.0686   -8478.0686    322.20217    322.20217    23793.081    23793.081    818.78185    818.78185 
  172000   -8386.2485   -8386.2485   -8474.1794   -8474.1794    340.30157    340.30157    23809.453    23809.453    510.17088    510.17088 
Loop time of 172.777 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.500 ns/day, 47.994 hours/ns, 5.788 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 172.49     | 172.49     | 172.49     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.046357   | 0.046357   | 0.046357   |   0.0 |  0.03
Output  | 0.0001658  | 0.0001658  | 0.0001658  |   0.0 |  0.00
Modify  | 0.2079     | 0.2079     | 0.2079     |   0.0 |  0.12
Other   |            | 0.03212    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4132.00 ave        4132 max        4132 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239468.0 ave      239468 max      239468 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239468
Ave neighs/atom = 119.73400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.709270897497, Press = -0.456549673065859
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  172000   -8386.2485   -8386.2485   -8474.1794   -8474.1794    340.30157    340.30157    23809.453    23809.453    510.17088    510.17088 
  173000   -8391.6497   -8391.6497   -8476.9805   -8476.9805    330.23932    330.23932    23833.314    23833.314   -1744.1705   -1744.1705 
Loop time of 154.038 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.561 ns/day, 42.788 hours/ns, 6.492 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 153.77     | 153.77     | 153.77     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041997   | 0.041997   | 0.041997   |   0.0 |  0.03
Output  | 9.3245e-05 | 9.3245e-05 | 9.3245e-05 |   0.0 |  0.00
Modify  | 0.19035    | 0.19035    | 0.19035    |   0.0 |  0.12
Other   |            | 0.03086    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4126.00 ave        4126 max        4126 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239462.0 ave      239462 max      239462 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239462
Ave neighs/atom = 119.73100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.697441571121, Press = -0.288233658254865
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  173000   -8391.6497   -8391.6497   -8476.9805   -8476.9805    330.23932    330.23932    23833.314    23833.314   -1744.1705   -1744.1705 
  174000   -8387.2382   -8387.2382   -8474.5548   -8474.5548    337.92446    337.92446     23797.53     23797.53    1139.7915    1139.7915 
Loop time of 131.166 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.659 ns/day, 36.435 hours/ns, 7.624 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 130.95     | 130.95     | 130.95     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035198   | 0.035198   | 0.035198   |   0.0 |  0.03
Output  | 8.5767e-05 | 8.5767e-05 | 8.5767e-05 |   0.0 |  0.00
Modify  | 0.15968    | 0.15968    | 0.15968    |   0.0 |  0.12
Other   |            | 0.02435    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4122.00 ave        4122 max        4122 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238928.0 ave      238928 max      238928 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238928
Ave neighs/atom = 119.46400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.693431153453, Press = 0.328336778901824
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  174000   -8387.2382   -8387.2382   -8474.5548   -8474.5548    337.92446    337.92446     23797.53     23797.53    1139.7915    1139.7915 
  175000   -8389.6662   -8389.6662   -8474.8512   -8474.8512    329.67463    329.67463    23776.275    23776.275    2491.4012    2491.4012 
Loop time of 132.481 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.652 ns/day, 36.800 hours/ns, 7.548 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 132.27     | 132.27     | 132.27     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034631   | 0.034631   | 0.034631   |   0.0 |  0.03
Output  | 8.6173e-05 | 8.6173e-05 | 8.6173e-05 |   0.0 |  0.00
Modify  | 0.15544    | 0.15544    | 0.15544    |   0.0 |  0.12
Other   |            | 0.02165    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4123.00 ave        4123 max        4123 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239676.0 ave      239676 max      239676 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239676
Ave neighs/atom = 119.83800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.703827905161, Press = -0.73334419263779
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  175000   -8389.6662   -8389.6662   -8474.8512   -8474.8512    329.67463    329.67463    23776.275    23776.275    2491.4012    2491.4012 
  176000   -8385.5669   -8385.5669   -8472.0684   -8472.0684    334.76999    334.76999     23859.21     23859.21   -2733.9581   -2733.9581 
Loop time of 131.59 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.657 ns/day, 36.553 hours/ns, 7.599 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.37     | 131.37     | 131.37     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035511   | 0.035511   | 0.035511   |   0.0 |  0.03
Output  | 9.3747e-05 | 9.3747e-05 | 9.3747e-05 |   0.0 |  0.00
Modify  | 0.16025    | 0.16025    | 0.16025    |   0.0 |  0.12
Other   |            | 0.02485    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4126.00 ave        4126 max        4126 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      240100.0 ave      240100 max      240100 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 240100
Ave neighs/atom = 120.05000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.700808971961, Press = -0.315672437973181
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  176000   -8385.5669   -8385.5669   -8472.0684   -8472.0684    334.76999    334.76999     23859.21     23859.21   -2733.9581   -2733.9581 
  177000   -8390.8583   -8390.8583   -8476.6659   -8476.6659    332.08457    332.08457    23797.703    23797.703    745.17667    745.17667 
Loop time of 129.581 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.667 ns/day, 35.995 hours/ns, 7.717 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 129.37     | 129.37     | 129.37     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034579   | 0.034579   | 0.034579   |   0.0 |  0.03
Output  | 8.6233e-05 | 8.6233e-05 | 8.6233e-05 |   0.0 |  0.00
Modify  | 0.1562     | 0.1562     | 0.1562     |   0.0 |  0.12
Other   |            | 0.0235     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4129.00 ave        4129 max        4129 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238948.0 ave      238948 max      238948 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238948
Ave neighs/atom = 119.47400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.702229668373, Press = 0.134602571323524
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  177000   -8390.8583   -8390.8583   -8476.6659   -8476.6659    332.08457    332.08457    23797.703    23797.703    745.17667    745.17667 
  178000   -8386.5576   -8386.5576   -8471.4433   -8471.4433    328.51632    328.51632    23801.749    23801.749    1320.2331    1320.2331 
Loop time of 131.693 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.656 ns/day, 36.581 hours/ns, 7.593 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.48     | 131.48     | 131.48     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034463   | 0.034463   | 0.034463   |   0.0 |  0.03
Output  | 8.6611e-05 | 8.6611e-05 | 8.6611e-05 |   0.0 |  0.00
Modify  | 0.15453    | 0.15453    | 0.15453    |   0.0 |  0.12
Other   |            | 0.0217     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4122.00 ave        4122 max        4122 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239492.0 ave      239492 max      239492 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239492
Ave neighs/atom = 119.74600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.700888418545, Press = -0.418100980856274
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  178000   -8386.5576   -8386.5576   -8471.4433   -8471.4433    328.51632    328.51632    23801.749    23801.749    1320.2331    1320.2331 
  179000   -8390.9987   -8390.9987   -8475.2119   -8475.2119    325.91378    325.91378    23825.112    23825.112   -1006.8675   -1006.8675 
Loop time of 152.386 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.567 ns/day, 42.329 hours/ns, 6.562 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 152.12     | 152.12     | 152.12     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041429   | 0.041429   | 0.041429   |   0.0 |  0.03
Output  | 0.0001038  | 0.0001038  | 0.0001038  |   0.0 |  0.00
Modify  | 0.18836    | 0.18836    | 0.18836    |   0.0 |  0.12
Other   |            | 0.03106    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4123.00 ave        4123 max        4123 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239622.0 ave      239622 max      239622 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239622
Ave neighs/atom = 119.81100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.696751776594, Press = -0.302577565867052
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  179000   -8390.9987   -8390.9987   -8475.2119   -8475.2119    325.91378    325.91378    23825.112    23825.112   -1006.8675   -1006.8675 
  180000   -8387.1128   -8387.1128    -8472.275    -8472.275    329.58643    329.58643     23814.65     23814.65    397.91712    397.91712 
Loop time of 132.494 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.652 ns/day, 36.804 hours/ns, 7.548 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 132.27     | 132.27     | 132.27     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.036357   | 0.036357   | 0.036357   |   0.0 |  0.03
Output  | 0.0001134  | 0.0001134  | 0.0001134  |   0.0 |  0.00
Modify  | 0.16483    | 0.16483    | 0.16483    |   0.0 |  0.12
Other   |            | 0.02677    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4121.00 ave        4121 max        4121 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239338.0 ave      239338 max      239338 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239338
Ave neighs/atom = 119.66900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.688660904106, Press = -0.162899551946357
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  180000   -8387.1128   -8387.1128    -8472.275    -8472.275    329.58643    329.58643     23814.65     23814.65    397.91712    397.91712 
  181000   -8390.2729   -8390.2729   -8475.2778   -8475.2778    328.97805    328.97805    23809.624    23809.624    310.29021    310.29021 
Loop time of 131.603 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.657 ns/day, 36.556 hours/ns, 7.599 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.38     | 131.38     | 131.38     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035509   | 0.035509   | 0.035509   |   0.0 |  0.03
Output  | 0.00010134 | 0.00010134 | 0.00010134 |   0.0 |  0.00
Modify  | 0.16078    | 0.16078    | 0.16078    |   0.0 |  0.12
Other   |            | 0.02512    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239378.0 ave      239378 max      239378 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239378
Ave neighs/atom = 119.68900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.683043136247, Press = -0.263293407568841
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  181000   -8390.2729   -8390.2729   -8475.2778   -8475.2778    328.97805    328.97805    23809.624    23809.624    310.29021    310.29021 
  182000   -8387.6229   -8387.6229   -8473.4885   -8473.4885    332.30879    332.30879    23825.565    23825.565   -617.48297   -617.48297 
Loop time of 129.878 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.665 ns/day, 36.077 hours/ns, 7.700 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 129.67     | 129.67     | 129.67     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034211   | 0.034211   | 0.034211   |   0.0 |  0.03
Output  | 8.6165e-05 | 8.6165e-05 | 8.6165e-05 |   0.0 |  0.00
Modify  | 0.1521     | 0.1521     | 0.1521     |   0.0 |  0.12
Other   |            | 0.02121    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4127.00 ave        4127 max        4127 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239372.0 ave      239372 max      239372 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239372
Ave neighs/atom = 119.68600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.699139761466, Press = -0.218128192316881
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  182000   -8387.6229   -8387.6229   -8473.4885   -8473.4885    332.30879    332.30879    23825.565    23825.565   -617.48297   -617.48297 
  183000   -8386.1369   -8386.1369   -8475.5475   -8475.5475     346.0284     346.0284    23790.192    23790.192    1755.1153    1755.1153 
Loop time of 130.696 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.661 ns/day, 36.305 hours/ns, 7.651 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 130.49     | 130.49     | 130.49     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034144   | 0.034144   | 0.034144   |   0.0 |  0.03
Output  | 9.6608e-05 | 9.6608e-05 | 9.6608e-05 |   0.0 |  0.00
Modify  | 0.15211    | 0.15211    | 0.15211    |   0.0 |  0.12
Other   |            | 0.02081    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4126.00 ave        4126 max        4126 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239104.0 ave      239104 max      239104 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239104
Ave neighs/atom = 119.55200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.712447383096, Press = -0.0123274233816335
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  183000   -8386.1369   -8386.1369   -8475.5475   -8475.5475     346.0284     346.0284    23790.192    23790.192    1755.1153    1755.1153 
  184000   -8389.2523   -8389.2523   -8474.8552   -8474.8552    331.29176    331.29176    23806.915    23806.915    458.51523    458.51523 
Loop time of 131.72 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.656 ns/day, 36.589 hours/ns, 7.592 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.51     | 131.51     | 131.51     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034932   | 0.034932   | 0.034932   |   0.0 |  0.03
Output  | 8.7257e-05 | 8.7257e-05 | 8.7257e-05 |   0.0 |  0.00
Modify  | 0.1562     | 0.1562     | 0.1562     |   0.0 |  0.12
Other   |            | 0.02227    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4124.00 ave        4124 max        4124 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239794.0 ave      239794 max      239794 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239794
Ave neighs/atom = 119.89700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.730186182726, Press = -0.780828850716677
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  184000   -8389.2523   -8389.2523   -8474.8552   -8474.8552    331.29176    331.29176    23806.915    23806.915    458.51523    458.51523 
  185000   -8385.1232   -8385.1232   -8471.7397   -8471.7397    335.21492    335.21492     23851.94     23851.94   -2179.8994   -2179.8994 
Loop time of 132.377 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.653 ns/day, 36.771 hours/ns, 7.554 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 132.17     | 132.17     | 132.17     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03469    | 0.03469    | 0.03469    |   0.0 |  0.03
Output  | 8.5903e-05 | 8.5903e-05 | 8.5903e-05 |   0.0 |  0.00
Modify  | 0.15486    | 0.15486    | 0.15486    |   0.0 |  0.12
Other   |            | 0.02144    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4126.00 ave        4126 max        4126 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239452.0 ave      239452 max      239452 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239452
Ave neighs/atom = 119.72600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.739162486034, Press = -0.0751738341217189
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  185000   -8385.1232   -8385.1232   -8471.7397   -8471.7397    335.21492    335.21492     23851.94     23851.94   -2179.8994   -2179.8994 
  186000   -8387.9842   -8387.9842   -8474.2925   -8474.2925    334.02174    334.02174    23802.799    23802.799    901.58675    901.58675 
Loop time of 131.657 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.656 ns/day, 36.571 hours/ns, 7.596 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.45     | 131.45     | 131.45     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034566   | 0.034566   | 0.034566   |   0.0 |  0.03
Output  | 9.3765e-05 | 9.3765e-05 | 9.3765e-05 |   0.0 |  0.00
Modify  | 0.15512    | 0.15512    | 0.15512    |   0.0 |  0.12
Other   |            | 0.02167    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4127.00 ave        4127 max        4127 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238822.0 ave      238822 max      238822 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238822
Ave neighs/atom = 119.41100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.737318135636, Press = -0.110426911022354
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  186000   -8387.9842   -8387.9842   -8474.2925   -8474.2925    334.02174    334.02174    23802.799    23802.799    901.58675    901.58675 
  187000   -8390.2938   -8390.2938   -8474.5593   -8474.5593    326.11641    326.11641    23811.566    23811.566    25.788329    25.788329 
Loop time of 130.706 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.661 ns/day, 36.307 hours/ns, 7.651 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 130.49     | 130.49     | 130.49     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034882   | 0.034882   | 0.034882   |   0.0 |  0.03
Output  | 8.7028e-05 | 8.7028e-05 | 8.7028e-05 |   0.0 |  0.00
Modify  | 0.15873    | 0.15873    | 0.15873    |   0.0 |  0.12
Other   |            | 0.0244     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4128.00 ave        4128 max        4128 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239486.0 ave      239486 max      239486 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239486
Ave neighs/atom = 119.74300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.719507940456, Press = -0.388489131575831
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  187000   -8390.2938   -8390.2938   -8474.5593   -8474.5593    326.11641    326.11641    23811.566    23811.566    25.788329    25.788329 
  188000    -8389.293    -8389.293   -8474.6316   -8474.6316    330.26927    330.26927     23823.33     23823.33   -550.66684   -550.66684 
Loop time of 131.231 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.658 ns/day, 36.453 hours/ns, 7.620 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.02     | 131.02     | 131.02     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034657   | 0.034657   | 0.034657   |   0.0 |  0.03
Output  | 8.7113e-05 | 8.7113e-05 | 8.7113e-05 |   0.0 |  0.00
Modify  | 0.15273    | 0.15273    | 0.15273    |   0.0 |  0.12
Other   |            | 0.02118    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4132.00 ave        4132 max        4132 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239472.0 ave      239472 max      239472 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239472
Ave neighs/atom = 119.73600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.723698756441, Press = -0.214159333932842
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  188000    -8389.293    -8389.293   -8474.6316   -8474.6316    330.26927    330.26927     23823.33     23823.33   -550.66684   -550.66684 
  189000   -8388.3539   -8388.3539    -8473.876    -8473.876    330.97919    330.97919    23808.283    23808.283    428.78045    428.78045 
Loop time of 131.973 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.655 ns/day, 36.659 hours/ns, 7.577 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.76     | 131.76     | 131.76     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034619   | 0.034619   | 0.034619   |   0.0 |  0.03
Output  | 8.6709e-05 | 8.6709e-05 | 8.6709e-05 |   0.0 |  0.00
Modify  | 0.15358    | 0.15358    | 0.15358    |   0.0 |  0.12
Other   |            | 0.02117    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4124.00 ave        4124 max        4124 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239122.0 ave      239122 max      239122 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239122
Ave neighs/atom = 119.56100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.722610946964, Press = -0.212240633594685
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  189000   -8388.3539   -8388.3539    -8473.876    -8473.876    330.97919    330.97919    23808.283    23808.283    428.78045    428.78045 
  190000   -8383.7992   -8383.7992   -8472.1617   -8472.1617    341.97212    341.97212    23822.773    23822.773   -132.17405   -132.17405 
Loop time of 128.56 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.672 ns/day, 35.711 hours/ns, 7.778 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 128.35     | 128.35     | 128.35     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034052   | 0.034052   | 0.034052   |   0.0 |  0.03
Output  | 8.5623e-05 | 8.5623e-05 | 8.5623e-05 |   0.0 |  0.00
Modify  | 0.15115    | 0.15115    | 0.15115    |   0.0 |  0.12
Other   |            | 0.0216     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4131.00 ave        4131 max        4131 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239540.0 ave      239540 max      239540 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239540
Ave neighs/atom = 119.77000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.739385251852, Press = -0.395170710475676
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  190000   -8383.7992   -8383.7992   -8472.1617   -8472.1617    341.97212    341.97212    23822.773    23822.773   -132.17405   -132.17405 
  191000   -8388.7505   -8388.7505   -8475.5039   -8475.5039    335.74496    335.74496    23825.803    23825.803   -869.67166   -869.67166 
Loop time of 130.082 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.664 ns/day, 36.134 hours/ns, 7.687 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 129.88     | 129.88     | 129.88     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034091   | 0.034091   | 0.034091   |   0.0 |  0.03
Output  | 8.5586e-05 | 8.5586e-05 | 8.5586e-05 |   0.0 |  0.00
Modify  | 0.15122    | 0.15122    | 0.15122    |   0.0 |  0.12
Other   |            | 0.02096    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239166.0 ave      239166 max      239166 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239166
Ave neighs/atom = 119.58300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.746717101567, Press = -0.144192033221014
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  191000   -8388.7505   -8388.7505   -8475.5039   -8475.5039    335.74496    335.74496    23825.803    23825.803   -869.67166   -869.67166 
  192000   -8391.9582   -8391.9582   -8476.3018   -8476.3018    326.41826    326.41826    23764.411    23764.411    2980.8036    2980.8036 
Loop time of 132.221 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.653 ns/day, 36.728 hours/ns, 7.563 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 132        | 132        | 132        |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035828   | 0.035828   | 0.035828   |   0.0 |  0.03
Output  | 9.2412e-05 | 9.2412e-05 | 9.2412e-05 |   0.0 |  0.00
Modify  | 0.15864    | 0.15864    | 0.15864    |   0.0 |  0.12
Other   |            | 0.02399    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238984.0 ave      238984 max      238984 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238984
Ave neighs/atom = 119.49200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.746765769807, Press = -0.197771183883543
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  192000   -8391.9582   -8391.9582   -8476.3018   -8476.3018    326.41826    326.41826    23764.411    23764.411    2980.8036    2980.8036 
  193000    -8387.297    -8387.297   -8472.8923   -8472.8923    331.26261    331.26261    23835.104    23835.104   -1302.9044   -1302.9044 
Loop time of 131.489 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.657 ns/day, 36.525 hours/ns, 7.605 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.26     | 131.26     | 131.26     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.036114   | 0.036114   | 0.036114   |   0.0 |  0.03
Output  | 8.9161e-05 | 8.9161e-05 | 8.9161e-05 |   0.0 |  0.00
Modify  | 0.1631     | 0.1631     | 0.1631     |   0.0 |  0.12
Other   |            | 0.02715    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      240220.0 ave      240220 max      240220 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 240220
Ave neighs/atom = 120.11000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.736713255832, Press = -0.738502597350869
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  193000    -8387.297    -8387.297   -8472.8923   -8472.8923    331.26261    331.26261    23835.104    23835.104   -1302.9044   -1302.9044 
  194000    -8390.805    -8390.805   -8476.0888   -8476.0888    330.05705    330.05705    23834.974    23834.974   -1768.4722   -1768.4722 
Loop time of 132.412 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.653 ns/day, 36.781 hours/ns, 7.552 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 132.2      | 132.2      | 132.2      |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035041   | 0.035041   | 0.035041   |   0.0 |  0.03
Output  | 0.00010238 | 0.00010238 | 0.00010238 |   0.0 |  0.00
Modify  | 0.15415    | 0.15415    | 0.15415    |   0.0 |  0.12
Other   |            | 0.0216     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4128.00 ave        4128 max        4128 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239258.0 ave      239258 max      239258 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239258
Ave neighs/atom = 119.62900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.725175952665, Press = 0.0381533825377254
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  194000    -8390.805    -8390.805   -8476.0888   -8476.0888    330.05705    330.05705    23834.974    23834.974   -1768.4722   -1768.4722 
  195000    -8389.699    -8389.699    -8474.845    -8474.845    329.52364    329.52364    23791.191    23791.191    1445.6404    1445.6404 
Loop time of 131.889 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.655 ns/day, 36.636 hours/ns, 7.582 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.68     | 131.68     | 131.68     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034648   | 0.034648   | 0.034648   |   0.0 |  0.03
Output  | 8.6834e-05 | 8.6834e-05 | 8.6834e-05 |   0.0 |  0.00
Modify  | 0.15171    | 0.15171    | 0.15171    |   0.0 |  0.12
Other   |            | 0.02071    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4123.00 ave        4123 max        4123 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239008.0 ave      239008 max      239008 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239008
Ave neighs/atom = 119.50400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.730115421994, Press = -0.199328540025619
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  195000    -8389.699    -8389.699    -8474.845    -8474.845    329.52364    329.52364    23791.191    23791.191    1445.6404    1445.6404 
  196000   -8383.5687   -8383.5687   -8470.7288   -8470.7288    337.31856    337.31856    23823.604    23823.604   -157.81712   -157.81712 
Loop time of 130.786 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.661 ns/day, 36.329 hours/ns, 7.646 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 130.58     | 130.58     | 130.58     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034631   | 0.034631   | 0.034631   |   0.0 |  0.03
Output  | 8.4869e-05 | 8.4869e-05 | 8.4869e-05 |   0.0 |  0.00
Modify  | 0.15122    | 0.15122    | 0.15122    |   0.0 |  0.12
Other   |            | 0.02077    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4129.00 ave        4129 max        4129 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239630.0 ave      239630 max      239630 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239630
Ave neighs/atom = 119.81500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.747471655972, Press = -0.445660193691086
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  196000   -8383.5687   -8383.5687   -8470.7288   -8470.7288    337.31856    337.31856    23823.604    23823.604   -157.81712   -157.81712 
  197000   -8388.5052   -8388.5052   -8475.1654   -8475.1654    335.38372    335.38372     23822.29     23822.29   -725.29856   -725.29856 
Loop time of 131.412 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.657 ns/day, 36.503 hours/ns, 7.610 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.2      | 131.2      | 131.2      |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034738   | 0.034738   | 0.034738   |   0.0 |  0.03
Output  | 9.1645e-05 | 9.1645e-05 | 9.1645e-05 |   0.0 |  0.00
Modify  | 0.15274    | 0.15274    | 0.15274    |   0.0 |  0.12
Other   |            | 0.0214     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4130.00 ave        4130 max        4130 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239498.0 ave      239498 max      239498 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239498
Ave neighs/atom = 119.74900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.756758548393, Press = -0.216428174487573
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  197000   -8388.5052   -8388.5052   -8475.1654   -8475.1654    335.38372    335.38372     23822.29     23822.29   -725.29856   -725.29856 
  198000   -8384.7603   -8384.7603   -8472.1758   -8472.1758    338.30671    338.30671    23811.768    23811.768    441.01066    441.01066 
Loop time of 132.107 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.654 ns/day, 36.696 hours/ns, 7.570 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.9      | 131.9      | 131.9      |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034737   | 0.034737   | 0.034737   |   0.0 |  0.03
Output  | 8.7634e-05 | 8.7634e-05 | 8.7634e-05 |   0.0 |  0.00
Modify  | 0.15342    | 0.15342    | 0.15342    |   0.0 |  0.12
Other   |            | 0.02122    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4126.00 ave        4126 max        4126 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239104.0 ave      239104 max      239104 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239104
Ave neighs/atom = 119.55200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.775117943472, Press = -0.239139227038833
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  198000   -8384.7603   -8384.7603   -8472.1758   -8472.1758    338.30671    338.30671    23811.768    23811.768    441.01066    441.01066 
  199000   -8386.8253   -8386.8253   -8474.4634   -8474.4634     339.1686     339.1686    23812.054    23812.054    260.88322    260.88322 
Loop time of 132.402 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.653 ns/day, 36.778 hours/ns, 7.553 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 132.19     | 132.19     | 132.19     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034664   | 0.034664   | 0.034664   |   0.0 |  0.03
Output  | 8.7313e-05 | 8.7313e-05 | 8.7313e-05 |   0.0 |  0.00
Modify  | 0.15173    | 0.15173    | 0.15173    |   0.0 |  0.11
Other   |            | 0.02072    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239430.0 ave      239430 max      239430 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239430
Ave neighs/atom = 119.71500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.772363027377, Press = -0.408562083941603
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  199000   -8386.8253   -8386.8253   -8474.4634   -8474.4634     339.1686     339.1686    23812.054    23812.054    260.88322    260.88322 
  200000   -8386.2935   -8386.2935   -8471.3129   -8471.3129    329.03408    329.03408    23831.725    23831.725   -848.29267   -848.29267 
Loop time of 128.694 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.671 ns/day, 35.748 hours/ns, 7.770 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 128.48     | 128.48     | 128.48     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034688   | 0.034688   | 0.034688   |   0.0 |  0.03
Output  | 9.5885e-05 | 9.5885e-05 | 9.5885e-05 |   0.0 |  0.00
Modify  | 0.15533    | 0.15533    | 0.15533    |   0.0 |  0.12
Other   |            | 0.02384    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239328.0 ave      239328 max      239328 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239328
Ave neighs/atom = 119.66400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.763348976569, Press = -0.261872839775366
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  200000   -8386.2935   -8386.2935   -8471.3129   -8471.3129    329.03408    329.03408    23831.725    23831.725   -848.29267   -848.29267 
  201000   -8392.5609   -8392.5609   -8476.4526   -8476.4526    324.66923    324.66923    23777.859    23777.859    2058.2575    2058.2575 
Loop time of 131.191 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.659 ns/day, 36.442 hours/ns, 7.622 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 130.98     | 130.98     | 130.98     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034424   | 0.034424   | 0.034424   |   0.0 |  0.03
Output  | 8.5313e-05 | 8.5313e-05 | 8.5313e-05 |   0.0 |  0.00
Modify  | 0.15253    | 0.15253    | 0.15253    |   0.0 |  0.12
Other   |            | 0.02074    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4128.00 ave        4128 max        4128 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239228.0 ave      239228 max      239228 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239228
Ave neighs/atom = 119.61400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.754647086185, Press = -0.162102631966031
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  201000   -8392.5609   -8392.5609   -8476.4526   -8476.4526    324.66923    324.66923    23777.859    23777.859    2058.2575    2058.2575 
  202000   -8388.3776   -8388.3776   -8474.6577   -8474.6577    333.91302    333.91302    23825.395    23825.395   -786.52629   -786.52629 
Loop time of 130.165 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.664 ns/day, 36.157 hours/ns, 7.683 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 129.94     | 129.94     | 129.94     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035732   | 0.035732   | 0.035732   |   0.0 |  0.03
Output  | 9.3007e-05 | 9.3007e-05 | 9.3007e-05 |   0.0 |  0.00
Modify  | 0.16294    | 0.16294    | 0.16294    |   0.0 |  0.13
Other   |            | 0.02728    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4123.00 ave        4123 max        4123 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239736.0 ave      239736 max      239736 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239736
Ave neighs/atom = 119.86800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.750051210655, Press = -0.708090064997922
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  202000   -8388.3776   -8388.3776   -8474.6577   -8474.6577    333.91302    333.91302    23825.395    23825.395   -786.52629   -786.52629 
  203000   -8386.5524   -8386.5524   -8472.6785   -8472.6785    333.31675    333.31675    23850.185    23850.185   -2201.6894   -2201.6894 
Loop time of 129.255 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.668 ns/day, 35.904 hours/ns, 7.737 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 129.04     | 129.04     | 129.04     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03507    | 0.03507    | 0.03507    |   0.0 |  0.03
Output  | 8.7538e-05 | 8.7538e-05 | 8.7538e-05 |   0.0 |  0.00
Modify  | 0.1585     | 0.1585     | 0.1585     |   0.0 |  0.12
Other   |            | 0.02454    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239394.0 ave      239394 max      239394 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239394
Ave neighs/atom = 119.69700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.747708067038, Press = -0.069643574971959
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  203000   -8386.5524   -8386.5524   -8472.6785   -8472.6785    333.31675    333.31675    23850.185    23850.185   -2201.6894   -2201.6894 
  204000   -8388.6068   -8388.6068   -8473.4574   -8473.4574    328.38076    328.38076     23776.09     23776.09    2694.8402    2694.8402 
Loop time of 131.692 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.656 ns/day, 36.581 hours/ns, 7.593 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.48     | 131.48     | 131.48     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034485   | 0.034485   | 0.034485   |   0.0 |  0.03
Output  | 9.0457e-05 | 9.0457e-05 | 9.0457e-05 |   0.0 |  0.00
Modify  | 0.15314    | 0.15314    | 0.15314    |   0.0 |  0.12
Other   |            | 0.02076    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4129.00 ave        4129 max        4129 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238760.0 ave      238760 max      238760 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238760
Ave neighs/atom = 119.38000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.748062945729, Press = -0.0983783315829671
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  204000   -8388.6068   -8388.6068   -8473.4574   -8473.4574    328.38076    328.38076     23776.09     23776.09    2694.8402    2694.8402 
  205000    -8385.054    -8385.054   -8470.8997   -8470.8997    332.23158    332.23158     23821.36     23821.36    19.098663    19.098663 
Loop time of 130.858 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.660 ns/day, 36.350 hours/ns, 7.642 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 130.64     | 130.64     | 130.64     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035206   | 0.035206   | 0.035206   |   0.0 |  0.03
Output  | 0.00010006 | 0.00010006 | 0.00010006 |   0.0 |  0.00
Modify  | 0.15838    | 0.15838    | 0.15838    |   0.0 |  0.12
Other   |            | 0.02415    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4126.00 ave        4126 max        4126 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      240036.0 ave      240036 max      240036 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 240036
Ave neighs/atom = 120.01800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.755306849097, Press = -0.484397105683384
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  205000    -8385.054    -8385.054   -8470.8997   -8470.8997    332.23158    332.23158     23821.36     23821.36    19.098663    19.098663 
  206000   -8389.0766   -8389.0766   -8473.0044   -8473.0044    324.80924    324.80924    23826.638    23826.638   -750.11945   -750.11945 
Loop time of 132.735 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.651 ns/day, 36.871 hours/ns, 7.534 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 132.51     | 132.51     | 132.51     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.036444   | 0.036444   | 0.036444   |   0.0 |  0.03
Output  | 9.3403e-05 | 9.3403e-05 | 9.3403e-05 |   0.0 |  0.00
Modify  | 0.1642     | 0.1642     | 0.1642     |   0.0 |  0.12
Other   |            | 0.02619    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4142.00 ave        4142 max        4142 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239446.0 ave      239446 max      239446 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239446
Ave neighs/atom = 119.72300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.747945328198, Press = -0.200008560745374
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  206000   -8389.0766   -8389.0766   -8473.0044   -8473.0044    324.80924    324.80924    23826.638    23826.638   -750.11945   -750.11945 
  207000   -8390.3026   -8390.3026   -8476.2518   -8476.2518    332.63218    332.63218    23796.792    23796.792    968.38377    968.38377 
Loop time of 147.233 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.587 ns/day, 40.898 hours/ns, 6.792 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 146.99     | 146.99     | 146.99     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03934    | 0.03934    | 0.03934    |   0.0 |  0.03
Output  | 0.00015706 | 0.00015706 | 0.00015706 |   0.0 |  0.00
Modify  | 0.17613    | 0.17613    | 0.17613    |   0.0 |  0.12
Other   |            | 0.02616    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4126.00 ave        4126 max        4126 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239148.0 ave      239148 max      239148 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239148
Ave neighs/atom = 119.57400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.742297313863, Press = -0.230963086457403
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  207000   -8390.3026   -8390.3026   -8476.2518   -8476.2518    332.63218    332.63218    23796.792    23796.792    968.38377    968.38377 
  208000   -8385.8102   -8385.8102    -8472.997    -8472.997    337.42165    337.42165    23814.764    23814.764    242.67679    242.67679 
Loop time of 137.838 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.627 ns/day, 38.288 hours/ns, 7.255 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 137.6      | 137.6      | 137.6      |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.037842   | 0.037842   | 0.037842   |   0.0 |  0.03
Output  | 9.4375e-05 | 9.4375e-05 | 9.4375e-05 |   0.0 |  0.00
Modify  | 0.17238    | 0.17238    | 0.17238    |   0.0 |  0.13
Other   |            | 0.02888    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4124.00 ave        4124 max        4124 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239624.0 ave      239624 max      239624 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239624
Ave neighs/atom = 119.81200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.732622717777, Press = -0.626391708557876
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  208000   -8385.8102   -8385.8102    -8472.997    -8472.997    337.42165    337.42165    23814.764    23814.764    242.67679    242.67679 
  209000   -8388.3787   -8388.3787   -8474.8597   -8474.8597    334.69051    334.69051    23877.941    23877.941   -4451.1913   -4451.1913 
Loop time of 148.154 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.583 ns/day, 41.154 hours/ns, 6.750 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 147.9      | 147.9      | 147.9      |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040686   | 0.040686   | 0.040686   |   0.0 |  0.03
Output  | 0.0001631  | 0.0001631  | 0.0001631  |   0.0 |  0.00
Modify  | 0.1836     | 0.1836     | 0.1836     |   0.0 |  0.12
Other   |            | 0.03055    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4133.00 ave        4133 max        4133 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239508.0 ave      239508 max      239508 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239508
Ave neighs/atom = 119.75400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.731127214103, Press = -0.116704291921741
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  209000   -8388.3787   -8388.3787   -8474.8597   -8474.8597    334.69051    334.69051    23877.941    23877.941   -4451.1913   -4451.1913 
  210000   -8392.4925   -8392.4925   -8476.7491   -8476.7491    326.08202    326.08202    23774.289    23774.289    2302.6324    2302.6324 
Loop time of 131.964 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.655 ns/day, 36.657 hours/ns, 7.578 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.73     | 131.73     | 131.73     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.036254   | 0.036254   | 0.036254   |   0.0 |  0.03
Output  | 9.8986e-05 | 9.8986e-05 | 9.8986e-05 |   0.0 |  0.00
Modify  | 0.16532    | 0.16532    | 0.16532    |   0.0 |  0.13
Other   |            | 0.02755    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238320.0 ave      238320 max      238320 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238320
Ave neighs/atom = 119.16000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.726722731621, Press = 0.0203039525166078
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  210000   -8392.4925   -8392.4925   -8476.7491   -8476.7491    326.08202    326.08202    23774.289    23774.289    2302.6324    2302.6324 
  211000   -8386.3384   -8386.3384   -8472.1691   -8472.1691    332.17391    332.17391    23807.212    23807.212    736.81479    736.81479 
Loop time of 130.428 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.662 ns/day, 36.230 hours/ns, 7.667 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 130.2      | 130.2      | 130.2      |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035427   | 0.035427   | 0.035427   |   0.0 |  0.03
Output  | 9.0074e-05 | 9.0074e-05 | 9.0074e-05 |   0.0 |  0.00
Modify  | 0.16152    | 0.16152    | 0.16152    |   0.0 |  0.12
Other   |            | 0.02614    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4123.00 ave        4123 max        4123 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239904.0 ave      239904 max      239904 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239904
Ave neighs/atom = 119.95200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.720159244757, Press = -0.520877694086433
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  211000   -8386.3384   -8386.3384   -8472.1691   -8472.1691    332.17391    332.17391    23807.212    23807.212    736.81479    736.81479 
  212000   -8391.7444   -8391.7444   -8475.5268   -8475.5268    324.24668    324.24668    23826.101    23826.101   -1095.2034   -1095.2034 
Loop time of 130.952 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.660 ns/day, 36.376 hours/ns, 7.636 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 130.74     | 130.74     | 130.74     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035007   | 0.035007   | 0.035007   |   0.0 |  0.03
Output  | 9.3306e-05 | 9.3306e-05 | 9.3306e-05 |   0.0 |  0.00
Modify  | 0.15807    | 0.15807    | 0.15807    |   0.0 |  0.12
Other   |            | 0.02349    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4128.00 ave        4128 max        4128 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239642.0 ave      239642 max      239642 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239642
Ave neighs/atom = 119.82100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.71083635375, Press = -0.291744723343017
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  212000   -8391.7444   -8391.7444   -8475.5268   -8475.5268    324.24668    324.24668    23826.101    23826.101   -1095.2034   -1095.2034 
  213000   -8384.7722   -8384.7722   -8473.4285   -8473.4285    343.10893    343.10893    23799.322    23799.322    1389.0387    1389.0387 
Loop time of 129.385 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.668 ns/day, 35.940 hours/ns, 7.729 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 129.16     | 129.16     | 129.16     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035387   | 0.035387   | 0.035387   |   0.0 |  0.03
Output  | 8.5998e-05 | 8.5998e-05 | 8.5998e-05 |   0.0 |  0.00
Modify  | 0.16106    | 0.16106    | 0.16106    |   0.0 |  0.12
Other   |            | 0.02642    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4126.00 ave        4126 max        4126 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239058.0 ave      239058 max      239058 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239058
Ave neighs/atom = 119.52900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.708358858214, Press = -0.0680429481286088
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  213000   -8384.7722   -8384.7722   -8473.4285   -8473.4285    343.10893    343.10893    23799.322    23799.322    1389.0387    1389.0387 
  214000   -8389.5965   -8389.5965   -8476.2427   -8476.2427    335.32983    335.32983    23800.526    23800.526    681.97514    681.97514 
Loop time of 131.961 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.655 ns/day, 36.656 hours/ns, 7.578 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.75     | 131.75     | 131.75     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034535   | 0.034535   | 0.034535   |   0.0 |  0.03
Output  | 8.9417e-05 | 8.9417e-05 | 8.9417e-05 |   0.0 |  0.00
Modify  | 0.15313    | 0.15313    | 0.15313    |   0.0 |  0.12
Other   |            | 0.02071    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4128.00 ave        4128 max        4128 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239766.0 ave      239766 max      239766 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239766
Ave neighs/atom = 119.88300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.717016141266, Press = -0.885173025874943
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  214000   -8389.5965   -8389.5965   -8476.2427   -8476.2427    335.32983    335.32983    23800.526    23800.526    681.97514    681.97514 
  215000   -8385.2351   -8385.2351    -8472.465    -8472.465    337.58888    337.58888    23861.006    23861.006   -2915.4087   -2915.4087 
Loop time of 129.78 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.666 ns/day, 36.050 hours/ns, 7.705 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 129.56     | 129.56     | 129.56     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034912   | 0.034912   | 0.034912   |   0.0 |  0.03
Output  | 9.0127e-05 | 9.0127e-05 | 9.0127e-05 |   0.0 |  0.00
Modify  | 0.15804    | 0.15804    | 0.15804    |   0.0 |  0.12
Other   |            | 0.02454    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4126.00 ave        4126 max        4126 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239390.0 ave      239390 max      239390 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239390
Ave neighs/atom = 119.69500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.724315062442, Press = -0.149478062652183
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  215000   -8385.2351   -8385.2351    -8472.465    -8472.465    337.58888    337.58888    23861.006    23861.006   -2915.4087   -2915.4087 
  216000   -8389.5213   -8389.5213   -8478.1976   -8478.1976    343.18638    343.18638    23793.259    23793.259    912.64635    912.64635 
Loop time of 128.098 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.674 ns/day, 35.583 hours/ns, 7.807 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 127.89     | 127.89     | 127.89     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034149   | 0.034149   | 0.034149   |   0.0 |  0.03
Output  | 8.6885e-05 | 8.6885e-05 | 8.6885e-05 |   0.0 |  0.00
Modify  | 0.15381    | 0.15381    | 0.15381    |   0.0 |  0.12
Other   |            | 0.0228     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4123.00 ave        4123 max        4123 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238972.0 ave      238972 max      238972 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238972
Ave neighs/atom = 119.48600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.738127300244, Press = -0.118175359482657
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  216000   -8389.5213   -8389.5213   -8478.1976   -8478.1976    343.18638    343.18638    23793.259    23793.259    912.64635    912.64635 
  217000   -8383.9333   -8383.9333   -8471.9856   -8471.9856    340.77162    340.77162    23814.899    23814.899    355.60391    355.60391 
Loop time of 130.343 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.663 ns/day, 36.206 hours/ns, 7.672 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 130.13     | 130.13     | 130.13     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034105   | 0.034105   | 0.034105   |   0.0 |  0.03
Output  | 8.749e-05  | 8.749e-05  | 8.749e-05  |   0.0 |  0.00
Modify  | 0.15279    | 0.15279    | 0.15279    |   0.0 |  0.12
Other   |            | 0.02112    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4122.00 ave        4122 max        4122 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239656.0 ave      239656 max      239656 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239656
Ave neighs/atom = 119.82800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.747243938632, Press = -0.484475275266937
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  217000   -8383.9333   -8383.9333   -8471.9856   -8471.9856    340.77162    340.77162    23814.899    23814.899    355.60391    355.60391 
  218000   -8389.1531   -8389.1531   -8472.9713   -8472.9713    324.38491    324.38491    23842.088    23842.088   -1853.5641   -1853.5641 
Loop time of 130.515 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.662 ns/day, 36.254 hours/ns, 7.662 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 130.29     | 130.29     | 130.29     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035175   | 0.035175   | 0.035175   |   0.0 |  0.03
Output  | 0.00015237 | 0.00015237 | 0.00015237 |   0.0 |  0.00
Modify  | 0.15952    | 0.15952    | 0.15952    |   0.0 |  0.12
Other   |            | 0.02496    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4127.00 ave        4127 max        4127 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239610.0 ave      239610 max      239610 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239610
Ave neighs/atom = 119.80500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.760902899544, Press = -0.268848112695541
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  218000   -8389.1531   -8389.1531   -8472.9713   -8472.9713    324.38491    324.38491    23842.088    23842.088   -1853.5641   -1853.5641 
  219000   -8383.1135   -8383.1135   -8471.7602   -8471.7602     343.0721     343.0721    23780.882    23780.882    2857.9286    2857.9286 
Loop time of 212.914 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.406 ns/day, 59.143 hours/ns, 4.697 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 212.56     | 212.56     | 212.56     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.05775    | 0.05775    | 0.05775    |   0.0 |  0.03
Output  | 9.9826e-05 | 9.9826e-05 | 9.9826e-05 |   0.0 |  0.00
Modify  | 0.26034    | 0.26034    | 0.26034    |   0.0 |  0.12
Other   |            | 0.04127    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4127.00 ave        4127 max        4127 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239118.0 ave      239118 max      239118 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239118
Ave neighs/atom = 119.55900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.76541059417, Press = 0.374866228050129
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  219000   -8383.1135   -8383.1135   -8471.7602   -8471.7602     343.0721     343.0721    23780.882    23780.882    2857.9286    2857.9286 
  220000   -8389.9563   -8389.9563   -8473.3274   -8473.3274    322.65446    322.65446    23792.172    23792.172    1654.8395    1654.8395 
Loop time of 131.794 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.656 ns/day, 36.609 hours/ns, 7.588 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.57     | 131.57     | 131.57     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.036193   | 0.036193   | 0.036193   |   0.0 |  0.03
Output  | 9.9407e-05 | 9.9407e-05 | 9.9407e-05 |   0.0 |  0.00
Modify  | 0.16404    | 0.16404    | 0.16404    |   0.0 |  0.12
Other   |            | 0.02672    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4128.00 ave        4128 max        4128 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239908.0 ave      239908 max      239908 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239908
Ave neighs/atom = 119.95400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.776191238994, Press = -0.675134274991593
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  220000   -8389.9563   -8389.9563   -8473.3274   -8473.3274    322.65446    322.65446    23792.172    23792.172    1654.8395    1654.8395 
  221000    -8390.355    -8390.355   -8475.1725   -8475.1725    328.25264    328.25264     23842.12     23842.12   -2131.8997   -2131.8997 
Loop time of 131.849 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.655 ns/day, 36.625 hours/ns, 7.584 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.63     | 131.63     | 131.63     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035309   | 0.035309   | 0.035309   |   0.0 |  0.03
Output  | 9.9268e-05 | 9.9268e-05 | 9.9268e-05 |   0.0 |  0.00
Modify  | 0.15691    | 0.15691    | 0.15691    |   0.0 |  0.12
Other   |            | 0.02265    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4128.00 ave        4128 max        4128 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239744.0 ave      239744 max      239744 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239744
Ave neighs/atom = 119.87200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.774825750012, Press = -0.235272836263547
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  221000    -8390.355    -8390.355   -8475.1725   -8475.1725    328.25264    328.25264     23842.12     23842.12   -2131.8997   -2131.8997 
  222000   -8386.4317   -8386.4317   -8473.9301   -8473.9301    338.62783    338.62783     23805.24     23805.24    924.40103    924.40103 
Loop time of 130.366 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.663 ns/day, 36.213 hours/ns, 7.671 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 130.15     | 130.15     | 130.15     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035117   | 0.035117   | 0.035117   |   0.0 |  0.03
Output  | 9.3528e-05 | 9.3528e-05 | 9.3528e-05 |   0.0 |  0.00
Modify  | 0.15702    | 0.15702    | 0.15702    |   0.0 |  0.12
Other   |            | 0.02349    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4124.00 ave        4124 max        4124 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239058.0 ave      239058 max      239058 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239058
Ave neighs/atom = 119.52900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.764694442645, Press = -0.0182099343593569
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  222000   -8386.4317   -8386.4317   -8473.9301   -8473.9301    338.62783    338.62783     23805.24     23805.24    924.40103    924.40103 
  223000   -8390.1582   -8390.1582   -8475.8575   -8475.8575    331.66499    331.66499     23801.18     23801.18    778.71195    778.71195 
Loop time of 142.002 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.608 ns/day, 39.445 hours/ns, 7.042 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 141.77     | 141.77     | 141.77     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.037525   | 0.037525   | 0.037525   |   0.0 |  0.03
Output  | 8.6748e-05 | 8.6748e-05 | 8.6748e-05 |   0.0 |  0.00
Modify  | 0.16726    | 0.16726    | 0.16726    |   0.0 |  0.12
Other   |            | 0.02367    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4121.00 ave        4121 max        4121 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239518.0 ave      239518 max      239518 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239518
Ave neighs/atom = 119.75900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.760407120676, Press = -0.477204791314255
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  223000   -8390.1582   -8390.1582   -8475.8575   -8475.8575    331.66499    331.66499     23801.18     23801.18    778.71195    778.71195 
  224000   -8383.9162   -8383.9162   -8470.1883   -8470.1883    333.88215    333.88215    23887.401    23887.401   -4409.2861   -4409.2861 
Loop time of 130.736 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.661 ns/day, 36.316 hours/ns, 7.649 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 130.51     | 130.51     | 130.51     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.036024   | 0.036024   | 0.036024   |   0.0 |  0.03
Output  | 9.264e-05  | 9.264e-05  | 9.264e-05  |   0.0 |  0.00
Modify  | 0.16317    | 0.16317    | 0.16317    |   0.0 |  0.12
Other   |            | 0.02715    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4143.00 ave        4143 max        4143 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239684.0 ave      239684 max      239684 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239684
Ave neighs/atom = 119.84200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.771077201377, Press = -0.30998894207496
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  224000   -8383.9162   -8383.9162   -8470.1883   -8470.1883    333.88215    333.88215    23887.401    23887.401   -4409.2861   -4409.2861 
  225000   -8388.7887   -8388.7887   -8473.0536   -8473.0536    326.11356    326.11356    23782.992    23782.992    2264.0208    2264.0208 
Loop time of 131.15 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.659 ns/day, 36.430 hours/ns, 7.625 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 130.93     | 130.93     | 130.93     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035359   | 0.035359   | 0.035359   |   0.0 |  0.03
Output  | 9.3319e-05 | 9.3319e-05 | 9.3319e-05 |   0.0 |  0.00
Modify  | 0.16036    | 0.16036    | 0.16036    |   0.0 |  0.12
Other   |            | 0.02468    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4122.00 ave        4122 max        4122 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238474.0 ave      238474 max      238474 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238474
Ave neighs/atom = 119.23700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.77949750327, Press = 0.304706785604953
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  225000   -8388.7887   -8388.7887   -8473.0536   -8473.0536    326.11356    326.11356    23782.992    23782.992    2264.0208    2264.0208 
  226000   -8387.7515   -8387.7515   -8472.5682   -8472.5682    328.24948    328.24948    23797.952    23797.952    1443.1406    1443.1406 
Loop time of 135.51 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.638 ns/day, 37.642 hours/ns, 7.380 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 135.28     | 135.28     | 135.28     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03686    | 0.03686    | 0.03686    |   0.0 |  0.03
Output  | 8.9642e-05 | 8.9642e-05 | 8.9642e-05 |   0.0 |  0.00
Modify  | 0.16695    | 0.16695    | 0.16695    |   0.0 |  0.12
Other   |            | 0.02682    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4132.00 ave        4132 max        4132 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239982.0 ave      239982 max      239982 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239982
Ave neighs/atom = 119.99100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.77918289606, Press = -0.388294093353004
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  226000   -8387.7515   -8387.7515   -8472.5682   -8472.5682    328.24948    328.24948    23797.952    23797.952    1443.1406    1443.1406 
  227000   -8391.2344   -8391.2344   -8477.7653   -8477.7653    334.88344    334.88344    23842.435    23842.435   -2436.1267   -2436.1267 
Loop time of 131.994 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.655 ns/day, 36.665 hours/ns, 7.576 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.78     | 131.78     | 131.78     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035003   | 0.035003   | 0.035003   |   0.0 |  0.03
Output  | 8.7682e-05 | 8.7682e-05 | 8.7682e-05 |   0.0 |  0.00
Modify  | 0.15827    | 0.15827    | 0.15827    |   0.0 |  0.12
Other   |            | 0.02361    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4128.00 ave        4128 max        4128 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239790.0 ave      239790 max      239790 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239790
Ave neighs/atom = 119.89500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.769551597359, Press = -0.225872195477709
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  227000   -8391.2344   -8391.2344   -8477.7653   -8477.7653    334.88344    334.88344    23842.435    23842.435   -2436.1267   -2436.1267 
  228000   -8387.5931   -8387.5931   -8473.2388   -8473.2388    331.45786    331.45786    23802.912    23802.912    963.00193    963.00193 
Loop time of 132.52 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.652 ns/day, 36.811 hours/ns, 7.546 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 132.31     | 132.31     | 132.31     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034891   | 0.034891   | 0.034891   |   0.0 |  0.03
Output  | 9.2734e-05 | 9.2734e-05 | 9.2734e-05 |   0.0 |  0.00
Modify  | 0.15542    | 0.15542    | 0.15542    |   0.0 |  0.12
Other   |            | 0.02139    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4122.00 ave        4122 max        4122 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238858.0 ave      238858 max      238858 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238858
Ave neighs/atom = 119.42900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.765731066787, Press = 0.0342729397522844
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  228000   -8387.5931   -8387.5931   -8473.2388   -8473.2388    331.45786    331.45786    23802.912    23802.912    963.00193    963.00193 
  229000   -8386.0951   -8386.0951   -8472.4109   -8472.4109     334.0512     334.0512    23784.803    23784.803    2272.9129    2272.9129 
Loop time of 131.764 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.656 ns/day, 36.601 hours/ns, 7.589 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.55     | 131.55     | 131.55     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034803   | 0.034803   | 0.034803   |   0.0 |  0.03
Output  | 8.5285e-05 | 8.5285e-05 | 8.5285e-05 |   0.0 |  0.00
Modify  | 0.15474    | 0.15474    | 0.15474    |   0.0 |  0.12
Other   |            | 0.02167    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4128.00 ave        4128 max        4128 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239668.0 ave      239668 max      239668 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239668
Ave neighs/atom = 119.83400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.755244011906, Press = -0.512294448986465
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  229000   -8386.0951   -8386.0951   -8472.4109   -8472.4109     334.0512     334.0512    23784.803    23784.803    2272.9129    2272.9129 
  230000   -8389.4803   -8389.4803    -8475.346    -8475.346    332.30888    332.30888    23885.461    23885.461   -4935.2373   -4935.2373 
Loop time of 132.055 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.654 ns/day, 36.682 hours/ns, 7.573 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.84     | 131.84     | 131.84     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034803   | 0.034803   | 0.034803   |   0.0 |  0.03
Output  | 9.2572e-05 | 9.2572e-05 | 9.2572e-05 |   0.0 |  0.00
Modify  | 0.15601    | 0.15601    | 0.15601    |   0.0 |  0.12
Other   |            | 0.02218    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4131.00 ave        4131 max        4131 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      240268.0 ave      240268 max      240268 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 240268
Ave neighs/atom = 120.13400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.760051355439, Press = -0.401112779945534
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  230000   -8389.4803   -8389.4803    -8475.346    -8475.346    332.30888    332.30888    23885.461    23885.461   -4935.2373   -4935.2373 
  231000   -8384.1593   -8384.1593   -8473.0134   -8473.0134    343.87472    343.87472    23815.896    23815.896    237.15091    237.15091 
Loop time of 231.154 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.374 ns/day, 64.209 hours/ns, 4.326 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 230.77     | 230.77     | 230.77     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.062308   | 0.062308   | 0.062308   |   0.0 |  0.03
Output  | 9.284e-05  | 9.284e-05  | 9.284e-05  |   0.0 |  0.00
Modify  | 0.27889    | 0.27889    | 0.27889    |   0.0 |  0.12
Other   |            | 0.04366    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238146.0 ave      238146 max      238146 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238146
Ave neighs/atom = 119.07300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.766044652892, Press = 0.0858067214668784
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  231000   -8384.1593   -8384.1593   -8473.0134   -8473.0134    343.87472    343.87472    23815.896    23815.896    237.15091    237.15091 
  232000   -8388.7577   -8388.7577   -8473.4839   -8473.4839    327.89911    327.89911    23797.837    23797.837    1148.8595    1148.8595 
Loop time of 132.166 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.654 ns/day, 36.713 hours/ns, 7.566 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.96     | 131.96     | 131.96     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034769   | 0.034769   | 0.034769   |   0.0 |  0.03
Output  | 8.6853e-05 | 8.6853e-05 | 8.6853e-05 |   0.0 |  0.00
Modify  | 0.15388    | 0.15388    | 0.15388    |   0.0 |  0.12
Other   |            | 0.02074    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4122.00 ave        4122 max        4122 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239382.0 ave      239382 max      239382 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239382
Ave neighs/atom = 119.69100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.781096472804, Press = -0.220724708898152
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  232000   -8388.7577   -8388.7577   -8473.4839   -8473.4839    327.89911    327.89911    23797.837    23797.837    1148.8595    1148.8595 
  233000    -8385.548    -8385.548   -8474.6657   -8474.6657    344.89452    344.89452    23839.347    23839.347   -1642.8289   -1642.8289 
Loop time of 130.743 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.661 ns/day, 36.318 hours/ns, 7.649 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 130.53     | 130.53     | 130.53     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034763   | 0.034763   | 0.034763   |   0.0 |  0.03
Output  | 9.3048e-05 | 9.3048e-05 | 9.3048e-05 |   0.0 |  0.00
Modify  | 0.1561     | 0.1561     | 0.1561     |   0.0 |  0.12
Other   |            | 0.02326    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4123.00 ave        4123 max        4123 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239848.0 ave      239848 max      239848 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239848
Ave neighs/atom = 119.92400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.787667653518, Press = -0.306523214591799
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  233000    -8385.548    -8385.548   -8474.6657   -8474.6657    344.89452    344.89452    23839.347    23839.347   -1642.8289   -1642.8289 
  234000   -8388.2072   -8388.2072   -8474.5904   -8474.5904    334.31207    334.31207    23817.422    23817.422   -212.00359   -212.00359 
Loop time of 131.408 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.657 ns/day, 36.502 hours/ns, 7.610 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.19     | 131.19     | 131.19     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035067   | 0.035067   | 0.035067   |   0.0 |  0.03
Output  | 9.4073e-05 | 9.4073e-05 | 9.4073e-05 |   0.0 |  0.00
Modify  | 0.15751    | 0.15751    | 0.15751    |   0.0 |  0.12
Other   |            | 0.02329    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4129.00 ave        4129 max        4129 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238962.0 ave      238962 max      238962 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238962
Ave neighs/atom = 119.48100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.785264297641, Press = 0.0626076819139047
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  234000   -8388.2072   -8388.2072   -8474.5904   -8474.5904    334.31207    334.31207    23817.422    23817.422   -212.00359   -212.00359 
  235000   -8385.4788   -8385.4788   -8472.5192   -8472.5192     336.8554     336.8554    23766.635    23766.635    3692.2056    3692.2056 
Loop time of 132.449 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.652 ns/day, 36.791 hours/ns, 7.550 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 132.24     | 132.24     | 132.24     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034745   | 0.034745   | 0.034745   |   0.0 |  0.03
Output  | 0.00010452 | 0.00010452 | 0.00010452 |   0.0 |  0.00
Modify  | 0.15585    | 0.15585    | 0.15585    |   0.0 |  0.12
Other   |            | 0.02141    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4129.00 ave        4129 max        4129 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239244.0 ave      239244 max      239244 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239244
Ave neighs/atom = 119.62200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.785928897691, Press = -0.323984039977764
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  235000   -8385.4788   -8385.4788   -8472.5192   -8472.5192     336.8554     336.8554    23766.635    23766.635    3692.2056    3692.2056 
  236000   -8388.7855   -8388.7855   -8474.5727   -8474.5727    332.00541    332.00541     23855.32     23855.32    -2804.532    -2804.532 
Loop time of 132.331 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.653 ns/day, 36.759 hours/ns, 7.557 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 132.12     | 132.12     | 132.12     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03492    | 0.03492    | 0.03492    |   0.0 |  0.03
Output  | 9.277e-05  | 9.277e-05  | 9.277e-05  |   0.0 |  0.00
Modify  | 0.15639    | 0.15639    | 0.15639    |   0.0 |  0.12
Other   |            | 0.02227    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4135.00 ave        4135 max        4135 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      240132.0 ave      240132 max      240132 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 240132
Ave neighs/atom = 120.06600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.780596840015, Press = -0.454062462225678
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  236000   -8388.7855   -8388.7855   -8474.5727   -8474.5727    332.00541    332.00541     23855.32     23855.32    -2804.532    -2804.532 
  237000   -8386.3871   -8386.3871   -8472.6811   -8472.6811     333.9665     333.9665    23823.518    23823.518   -222.65872   -222.65872 
Loop time of 132.092 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.654 ns/day, 36.692 hours/ns, 7.570 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.88     | 131.88     | 131.88     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034822   | 0.034822   | 0.034822   |   0.0 |  0.03
Output  | 8.9683e-05 | 8.9683e-05 | 8.9683e-05 |   0.0 |  0.00
Modify  | 0.15438    | 0.15438    | 0.15438    |   0.0 |  0.12
Other   |            | 0.02135    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4131.00 ave        4131 max        4131 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238686.0 ave      238686 max      238686 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238686
Ave neighs/atom = 119.34300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.772744690312, Press = 0.149207027297707
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  237000   -8386.3871   -8386.3871   -8472.6811   -8472.6811     333.9665     333.9665    23823.518    23823.518   -222.65872   -222.65872 
  238000   -8392.1656   -8392.1656   -8475.7755   -8475.7755    323.57873    323.57873    23780.219    23780.219    2040.1241    2040.1241 
Loop time of 129.117 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.669 ns/day, 35.866 hours/ns, 7.745 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 128.91     | 128.91     | 128.91     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033844   | 0.033844   | 0.033844   |   0.0 |  0.03
Output  | 8.6378e-05 | 8.6378e-05 | 8.6378e-05 |   0.0 |  0.00
Modify  | 0.15076    | 0.15076    | 0.15076    |   0.0 |  0.12
Other   |            | 0.02071    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4121.00 ave        4121 max        4121 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239240.0 ave      239240 max      239240 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239240
Ave neighs/atom = 119.62000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.765822782891, Press = -0.189963859618379
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  238000   -8392.1656   -8392.1656   -8475.7755   -8475.7755    323.57873    323.57873    23780.219    23780.219    2040.1241    2040.1241 
  239000   -8388.7463   -8388.7463   -8476.1312   -8476.1312    338.18862    338.18862    23828.416    23828.416   -1096.1929   -1096.1929 
Loop time of 132.225 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.653 ns/day, 36.729 hours/ns, 7.563 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 132.01     | 132.01     | 132.01     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035314   | 0.035314   | 0.035314   |   0.0 |  0.03
Output  | 9.7724e-05 | 9.7724e-05 | 9.7724e-05 |   0.0 |  0.00
Modify  | 0.15905    | 0.15905    | 0.15905    |   0.0 |  0.12
Other   |            | 0.02398    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4126.00 ave        4126 max        4126 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239878.0 ave      239878 max      239878 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239878
Ave neighs/atom = 119.93900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.765745570945, Press = -0.331418904615169
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  239000   -8388.7463   -8388.7463   -8476.1312   -8476.1312    338.18862    338.18862    23828.416    23828.416   -1096.1929   -1096.1929 
  240000    -8390.582    -8390.582   -8474.8814   -8474.8814    326.24762    326.24762    23814.305    23814.305   -233.95116   -233.95116 
Loop time of 129.313 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.668 ns/day, 35.920 hours/ns, 7.733 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 129.1      | 129.1      | 129.1      |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034255   | 0.034255   | 0.034255   |   0.0 |  0.03
Output  | 9.6322e-05 | 9.6322e-05 | 9.6322e-05 |   0.0 |  0.00
Modify  | 0.15349    | 0.15349    | 0.15349    |   0.0 |  0.12
Other   |            | 0.02232    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4122.00 ave        4122 max        4122 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239142.0 ave      239142 max      239142 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239142
Ave neighs/atom = 119.57100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.764193987166, Press = -0.0896630256886519
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  240000    -8390.582    -8390.582   -8474.8814   -8474.8814    326.24762    326.24762    23814.305    23814.305   -233.95116   -233.95116 
  241000   -8387.9606   -8387.9606   -8474.6941   -8474.6941    335.66748    335.66748     23803.74     23803.74    685.23635    685.23635 
Loop time of 170.069 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.508 ns/day, 47.241 hours/ns, 5.880 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 169.78     | 169.78     | 169.78     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.046681   | 0.046681   | 0.046681   |   0.0 |  0.03
Output  | 0.00010294 | 0.00010294 | 0.00010294 |   0.0 |  0.00
Modify  | 0.20867    | 0.20867    | 0.20867    |   0.0 |  0.12
Other   |            | 0.03333    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4129.00 ave        4129 max        4129 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239426.0 ave      239426 max      239426 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239426
Ave neighs/atom = 119.71300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.768026605009, Press = -0.176237584314085
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  241000   -8387.9606   -8387.9606   -8474.6941   -8474.6941    335.66748    335.66748     23803.74     23803.74    685.23635    685.23635 
  242000   -8387.1816   -8387.1816   -8473.3838   -8473.3838    333.61136    333.61136    23823.022    23823.022   -340.67137   -340.67137 
Loop time of 167.78 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.515 ns/day, 46.606 hours/ns, 5.960 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 167.5      | 167.5      | 167.5      |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.045432   | 0.045432   | 0.045432   |   0.0 |  0.03
Output  | 8.7652e-05 | 8.7652e-05 | 8.7652e-05 |   0.0 |  0.00
Modify  | 0.20518    | 0.20518    | 0.20518    |   0.0 |  0.12
Other   |            | 0.03277    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4128.00 ave        4128 max        4128 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239642.0 ave      239642 max      239642 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239642
Ave neighs/atom = 119.82100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.768431621177, Press = -0.252779794267461
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  242000   -8387.1816   -8387.1816   -8473.3838   -8473.3838    333.61136    333.61136    23823.022    23823.022   -340.67137   -340.67137 
  243000   -8388.2656   -8388.2656   -8472.6284   -8472.6284    326.49262    326.49262    23831.658    23831.658   -937.42269   -937.42269 
Loop time of 128.958 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.670 ns/day, 35.822 hours/ns, 7.754 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 128.75     | 128.75     | 128.75     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033872   | 0.033872   | 0.033872   |   0.0 |  0.03
Output  | 8.7424e-05 | 8.7424e-05 | 8.7424e-05 |   0.0 |  0.00
Modify  | 0.15073    | 0.15073    | 0.15073    |   0.0 |  0.12
Other   |            | 0.02079    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4131.00 ave        4131 max        4131 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239238.0 ave      239238 max      239238 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239238
Ave neighs/atom = 119.61900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.763964807057, Press = -0.00142023020341567
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  243000   -8388.2656   -8388.2656   -8472.6284   -8472.6284    326.49262    326.49262    23831.658    23831.658   -937.42269   -937.42269 
  244000   -8384.2634   -8384.2634    -8471.862    -8471.862    339.01559    339.01559    23758.057    23758.057     4400.978     4400.978 
Loop time of 130.758 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.661 ns/day, 36.322 hours/ns, 7.648 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 130.54     | 130.54     | 130.54     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035017   | 0.035017   | 0.035017   |   0.0 |  0.03
Output  | 9.6249e-05 | 9.6249e-05 | 9.6249e-05 |   0.0 |  0.00
Modify  | 0.15837    | 0.15837    | 0.15837    |   0.0 |  0.12
Other   |            | 0.02388    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4120.00 ave        4120 max        4120 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239172.0 ave      239172 max      239172 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239172
Ave neighs/atom = 119.58600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.758712245255, Press = -0.157702160771284
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  244000   -8384.2634   -8384.2634    -8471.862    -8471.862    339.01559    339.01559    23758.057    23758.057     4400.978     4400.978 
  245000   -8388.2171   -8388.2171   -8473.0157   -8473.0157    328.17956    328.17956    23833.416    23833.416   -1131.7318   -1131.7318 
Loop time of 133 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.650 ns/day, 36.944 hours/ns, 7.519 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 132.77     | 132.77     | 132.77     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.036177   | 0.036177   | 0.036177   |   0.0 |  0.03
Output  | 8.7726e-05 | 8.7726e-05 | 8.7726e-05 |   0.0 |  0.00
Modify  | 0.1645     | 0.1645     | 0.1645     |   0.0 |  0.12
Other   |            | 0.02674    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4128.00 ave        4128 max        4128 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      240346.0 ave      240346 max      240346 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 240346
Ave neighs/atom = 120.17300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.765102278918, Press = -0.44601355610926
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  245000   -8388.2171   -8388.2171   -8473.0157   -8473.0157    328.17956    328.17956    23833.416    23833.416   -1131.7318   -1131.7318 
  246000   -8389.8771   -8389.8771     -8472.43     -8472.43    319.48833    319.48833    23824.216    23824.216   -559.73503   -559.73503 
Loop time of 129.823 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.666 ns/day, 36.062 hours/ns, 7.703 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 129.62     | 129.62     | 129.62     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034108   | 0.034108   | 0.034108   |   0.0 |  0.03
Output  | 8.5656e-05 | 8.5656e-05 | 8.5656e-05 |   0.0 |  0.00
Modify  | 0.15066    | 0.15066    | 0.15066    |   0.0 |  0.12
Other   |            | 0.02036    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4121.00 ave        4121 max        4121 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239164.0 ave      239164 max      239164 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239164
Ave neighs/atom = 119.58200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.775117098315, Press = -0.0232242836359163
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  246000   -8389.8771   -8389.8771     -8472.43     -8472.43    319.48833    319.48833    23824.216    23824.216   -559.73503   -559.73503 
  247000   -8386.8881   -8386.8881   -8473.3649   -8473.3649    334.67393    334.67393    23789.037    23789.037    2006.4581    2006.4581 
Loop time of 129.314 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.668 ns/day, 35.921 hours/ns, 7.733 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 129.11     | 129.11     | 129.11     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033906   | 0.033906   | 0.033906   |   0.0 |  0.03
Output  | 8.5137e-05 | 8.5137e-05 | 8.5137e-05 |   0.0 |  0.00
Modify  | 0.14971    | 0.14971    | 0.14971    |   0.0 |  0.12
Other   |            | 0.02023    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4122.00 ave        4122 max        4122 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239254.0 ave      239254 max      239254 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239254
Ave neighs/atom = 119.62700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.773757972301, Press = -0.169021229305595
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  247000   -8386.8881   -8386.8881   -8473.3649   -8473.3649    334.67393    334.67393    23789.037    23789.037    2006.4581    2006.4581 
  248000   -8393.1953   -8393.1953   -8477.9936   -8477.9936    328.17826    328.17826    23822.214    23822.214   -1153.6185   -1153.6185 
Loop time of 132.561 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.652 ns/day, 36.823 hours/ns, 7.544 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 132.35     | 132.35     | 132.35     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034643   | 0.034643   | 0.034643   |   0.0 |  0.03
Output  | 8.993e-05  | 8.993e-05  | 8.993e-05  |   0.0 |  0.00
Modify  | 0.15302    | 0.15302    | 0.15302    |   0.0 |  0.12
Other   |            | 0.02063    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4137.00 ave        4137 max        4137 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239730.0 ave      239730 max      239730 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239730
Ave neighs/atom = 119.86500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.764866302957, Press = -0.352494681883143
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  248000   -8393.1953   -8393.1953   -8477.9936   -8477.9936    328.17826    328.17826    23822.214    23822.214   -1153.6185   -1153.6185 
  249000   -8388.3923   -8388.3923   -8473.1036   -8473.1036    327.84139    327.84139    23822.347    23822.347   -422.36375   -422.36375 
Loop time of 130.859 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.660 ns/day, 36.350 hours/ns, 7.642 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 130.65     | 130.65     | 130.65     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034451   | 0.034451   | 0.034451   |   0.0 |  0.03
Output  | 8.3937e-05 | 8.3937e-05 | 8.3937e-05 |   0.0 |  0.00
Modify  | 0.15254    | 0.15254    | 0.15254    |   0.0 |  0.12
Other   |            | 0.02132    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239238.0 ave      239238 max      239238 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239238
Ave neighs/atom = 119.61900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.764807493251, Press = 0.00809913881331541
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  249000   -8388.3923   -8388.3923   -8473.1036   -8473.1036    327.84139    327.84139    23822.347    23822.347   -422.36375   -422.36375 
  250000   -8388.8862   -8388.8862   -8475.4561   -8475.4561    335.03456    335.03456    23775.056    23775.056    2626.6246    2626.6246 
Loop time of 132.532 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.652 ns/day, 36.815 hours/ns, 7.545 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 132.32     | 132.32     | 132.32     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034352   | 0.034352   | 0.034352   |   0.0 |  0.03
Output  | 8.6134e-05 | 8.6134e-05 | 8.6134e-05 |   0.0 |  0.00
Modify  | 0.15296    | 0.15296    | 0.15296    |   0.0 |  0.12
Other   |            | 0.0205     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4124.00 ave        4124 max        4124 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239438.0 ave      239438 max      239438 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239438
Ave neighs/atom = 119.71900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.761417299006, Press = -0.209549593837424
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  250000   -8388.8862   -8388.8862   -8475.4561   -8475.4561    335.03456    335.03456    23775.056    23775.056    2626.6246    2626.6246 
  251000   -8391.6751   -8391.6751   -8475.4123   -8475.4123    324.07174    324.07174    23844.953    23844.953   -2277.3234   -2277.3234 
Loop time of 131.122 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.659 ns/day, 36.423 hours/ns, 7.626 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 130.91     | 130.91     | 130.91     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034788   | 0.034788   | 0.034788   |   0.0 |  0.03
Output  | 9.4197e-05 | 9.4197e-05 | 9.4197e-05 |   0.0 |  0.00
Modify  | 0.15558    | 0.15558    | 0.15558    |   0.0 |  0.12
Other   |            | 0.02282    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4120.00 ave        4120 max        4120 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      240054.0 ave      240054 max      240054 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 240054
Ave neighs/atom = 120.02700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.764767726872, Press = -0.487868407019829
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  251000   -8391.6751   -8391.6751   -8475.4123   -8475.4123    324.07174    324.07174    23844.953    23844.953   -2277.3234   -2277.3234 
  252000   -8386.5706   -8386.5706   -8472.6884   -8472.6884    333.28468    333.28468    23829.064    23829.064   -675.69219   -675.69219 
Loop time of 130.575 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.662 ns/day, 36.271 hours/ns, 7.658 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 130.35     | 130.35     | 130.35     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035967   | 0.035967   | 0.035967   |   0.0 |  0.03
Output  | 9.3005e-05 | 9.3005e-05 | 9.3005e-05 |   0.0 |  0.00
Modify  | 0.16362    | 0.16362    | 0.16362    |   0.0 |  0.13
Other   |            | 0.02698    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238788.0 ave      238788 max      238788 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238788
Ave neighs/atom = 119.39400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.757169408716, Press = 0.208058283016943
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  252000   -8386.5706   -8386.5706   -8472.6884   -8472.6884    333.28468    333.28468    23829.064    23829.064   -675.69219   -675.69219 
  253000   -8392.5713   -8392.5713   -8473.6738   -8473.6738    313.87531    313.87531    23787.129    23787.129    1804.3918    1804.3918 
Loop time of 131.218 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.658 ns/day, 36.449 hours/ns, 7.621 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 130.99     | 130.99     | 130.99     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03583    | 0.03583    | 0.03583    |   0.0 |  0.03
Output  | 9.4541e-05 | 9.4541e-05 | 9.4541e-05 |   0.0 |  0.00
Modify  | 0.16242    | 0.16242    | 0.16242    |   0.0 |  0.12
Other   |            | 0.02582    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4126.00 ave        4126 max        4126 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239416.0 ave      239416 max      239416 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239416
Ave neighs/atom = 119.70800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.747822708482, Press = -0.154752241609378
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  253000   -8392.5713   -8392.5713   -8473.6738   -8473.6738    313.87531    313.87531    23787.129    23787.129    1804.3918    1804.3918 
  254000    -8388.086    -8388.086   -8475.1155   -8475.1155    336.81342    336.81342    23824.057    23824.057   -728.09104   -728.09104 
Loop time of 131.398 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.658 ns/day, 36.499 hours/ns, 7.610 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.19     | 131.19     | 131.19     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034451   | 0.034451   | 0.034451   |   0.0 |  0.03
Output  | 8.5715e-05 | 8.5715e-05 | 8.5715e-05 |   0.0 |  0.00
Modify  | 0.15367    | 0.15367    | 0.15367    |   0.0 |  0.12
Other   |            | 0.02185    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4124.00 ave        4124 max        4124 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239876.0 ave      239876 max      239876 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239876
Ave neighs/atom = 119.93800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.74662548485, Press = -0.267523317523486
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  254000    -8388.086    -8388.086   -8475.1155   -8475.1155    336.81342    336.81342    23824.057    23824.057   -728.09104   -728.09104 
  255000   -8389.1414   -8389.1414    -8476.591    -8476.591    338.43896    338.43896    23820.014    23820.014   -700.76241   -700.76241 
Loop time of 131.86 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.655 ns/day, 36.628 hours/ns, 7.584 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.65     | 131.65     | 131.65     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034511   | 0.034511   | 0.034511   |   0.0 |  0.03
Output  | 9.4e-05    | 9.4e-05    | 9.4e-05    |   0.0 |  0.00
Modify  | 0.15284    | 0.15284    | 0.15284    |   0.0 |  0.12
Other   |            | 0.0206     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239162.0 ave      239162 max      239162 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239162
Ave neighs/atom = 119.58100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.75163107127, Press = -0.066314935479434
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  255000   -8389.1414   -8389.1414    -8476.591    -8476.591    338.43896    338.43896    23820.014    23820.014   -700.76241   -700.76241 
  256000   -8389.9291   -8389.9291   -8477.0985   -8477.0985     337.3546     337.3546    23789.717    23789.717    1387.1092    1387.1092 
Loop time of 176.373 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.490 ns/day, 48.992 hours/ns, 5.670 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 176.08     | 176.08     | 176.08     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.047111   | 0.047111   | 0.047111   |   0.0 |  0.03
Output  | 9.318e-05  | 9.318e-05  | 9.318e-05  |   0.0 |  0.00
Modify  | 0.21158    | 0.21158    | 0.21158    |   0.0 |  0.12
Other   |            | 0.03224    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4120.00 ave        4120 max        4120 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239232.0 ave      239232 max      239232 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239232
Ave neighs/atom = 119.61600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.760174795326, Press = -0.216826417118431
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  256000   -8389.9291   -8389.9291   -8477.0985   -8477.0985     337.3546     337.3546    23789.717    23789.717    1387.1092    1387.1092 
  257000   -8386.6095   -8386.6095     -8472.54     -8472.54     332.5599     332.5599    23833.371    23833.371   -1101.7151   -1101.7151 
Loop time of 132.128 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.654 ns/day, 36.702 hours/ns, 7.568 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.91     | 131.91     | 131.91     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035779   | 0.035779   | 0.035779   |   0.0 |  0.03
Output  | 9.2426e-05 | 9.2426e-05 | 9.2426e-05 |   0.0 |  0.00
Modify  | 0.15957    | 0.15957    | 0.15957    |   0.0 |  0.12
Other   |            | 0.02385    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4123.00 ave        4123 max        4123 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239820.0 ave      239820 max      239820 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239820
Ave neighs/atom = 119.91000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.751809901954, Press = -0.384611994459708
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  257000   -8386.6095   -8386.6095     -8472.54     -8472.54     332.5599     332.5599    23833.371    23833.371   -1101.7151   -1101.7151 
  258000   -8390.5111   -8390.5111   -8474.2968   -8474.2968    324.25909    324.25909     23826.91     23826.91    -1049.183    -1049.183 
Loop time of 132.454 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.652 ns/day, 36.793 hours/ns, 7.550 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 132.23     | 132.23     | 132.23     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035851   | 0.035851   | 0.035851   |   0.0 |  0.03
Output  | 9.3581e-05 | 9.3581e-05 | 9.3581e-05 |   0.0 |  0.00
Modify  | 0.1604     | 0.1604     | 0.1604     |   0.0 |  0.12
Other   |            | 0.0241     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239294.0 ave      239294 max      239294 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239294
Ave neighs/atom = 119.64700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.745922538537, Press = 0.0855650167986201
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  258000   -8390.5111   -8390.5111   -8474.2968   -8474.2968    324.25909    324.25909     23826.91     23826.91    -1049.183    -1049.183 
  259000   -8385.9524   -8385.9524   -8473.8387   -8473.8387    340.12917    340.12917    23775.604    23775.604    2850.2422    2850.2422 
Loop time of 174.628 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.495 ns/day, 48.508 hours/ns, 5.726 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 174.33     | 174.33     | 174.33     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.047273   | 0.047273   | 0.047273   |   0.0 |  0.03
Output  | 9.0664e-05 | 9.0664e-05 | 9.0664e-05 |   0.0 |  0.00
Modify  | 0.21217    | 0.21217    | 0.21217    |   0.0 |  0.12
Other   |            | 0.03349    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239258.0 ave      239258 max      239258 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239258
Ave neighs/atom = 119.62900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.746110184059, Press = -0.145215423378425
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  259000   -8385.9524   -8385.9524   -8473.8387   -8473.8387    340.12917    340.12917    23775.604    23775.604    2850.2422    2850.2422 
  260000   -8390.8735   -8390.8735   -8476.2355   -8476.2355    330.35973    330.35973    23826.872    23826.872   -1125.8356   -1125.8356 
Loop time of 150.777 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.573 ns/day, 41.882 hours/ns, 6.632 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 150.52     | 150.52     | 150.52     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041024   | 0.041024   | 0.041024   |   0.0 |  0.03
Output  | 9.9944e-05 | 9.9944e-05 | 9.9944e-05 |   0.0 |  0.00
Modify  | 0.18616    | 0.18616    | 0.18616    |   0.0 |  0.12
Other   |            | 0.03042    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4124.00 ave        4124 max        4124 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      240104.0 ave      240104 max      240104 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 240104
Ave neighs/atom = 120.05200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.754776861739, Press = -0.411537898233593
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  260000   -8390.8735   -8390.8735   -8476.2355   -8476.2355    330.35973    330.35973    23826.872    23826.872   -1125.8356   -1125.8356 
  261000   -8387.4739   -8387.4739   -8472.2777   -8472.2777    328.19973    328.19973    23824.775    23824.775    -525.9924    -525.9924 
Loop time of 138.798 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.622 ns/day, 38.555 hours/ns, 7.205 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 138.57     | 138.57     | 138.57     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.037046   | 0.037046   | 0.037046   |   0.0 |  0.03
Output  | 0.00016213 | 0.00016213 | 0.00016213 |   0.0 |  0.00
Modify  | 0.16751    | 0.16751    | 0.16751    |   0.0 |  0.12
Other   |            | 0.02539    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239112.0 ave      239112 max      239112 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239112
Ave neighs/atom = 119.55600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.752551928676, Press = -0.0790006414484817
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  261000   -8387.4739   -8387.4739   -8472.2777   -8472.2777    328.19973    328.19973    23824.775    23824.775    -525.9924    -525.9924 
  262000    -8387.954    -8387.954   -8475.1601   -8475.1601    337.49657    337.49657    23804.148    23804.148    550.68458    550.68458 
Loop time of 137.997 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.626 ns/day, 38.333 hours/ns, 7.247 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 137.78     | 137.78     | 137.78     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.036153   | 0.036153   | 0.036153   |   0.0 |  0.03
Output  | 9.3066e-05 | 9.3066e-05 | 9.3066e-05 |   0.0 |  0.00
Modify  | 0.16157    | 0.16157    | 0.16157    |   0.0 |  0.12
Other   |            | 0.02255    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4123.00 ave        4123 max        4123 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239212.0 ave      239212 max      239212 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239212
Ave neighs/atom = 119.60600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.741247923575, Press = -0.181032281372881
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  262000    -8387.954    -8387.954   -8475.1601   -8475.1601    337.49657    337.49657    23804.148    23804.148    550.68458    550.68458 
  263000   -8390.9353   -8390.9353   -8476.0336   -8476.0336    329.33933    329.33933    23815.192    23815.192   -407.64053   -407.64053 
Loop time of 131.826 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.655 ns/day, 36.618 hours/ns, 7.586 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.61     | 131.61     | 131.61     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035099   | 0.035099   | 0.035099   |   0.0 |  0.03
Output  | 9.5089e-05 | 9.5089e-05 | 9.5089e-05 |   0.0 |  0.00
Modify  | 0.15662    | 0.15662    | 0.15662    |   0.0 |  0.12
Other   |            | 0.02237    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4122.00 ave        4122 max        4122 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239542.0 ave      239542 max      239542 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239542
Ave neighs/atom = 119.77100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.73868044255, Press = -0.250718229138768
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  263000   -8390.9353   -8390.9353   -8476.0336   -8476.0336    329.33933    329.33933    23815.192    23815.192   -407.64053   -407.64053 
  264000   -8387.7113   -8387.7113   -8473.8963   -8473.8963    333.54481    333.54481      23827.4      23827.4   -845.72239   -845.72239 
Loop time of 150.305 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.575 ns/day, 41.751 hours/ns, 6.653 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 150.05     | 150.05     | 150.05     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040854   | 0.040854   | 0.040854   |   0.0 |  0.03
Output  | 8.8325e-05 | 8.8325e-05 | 8.8325e-05 |   0.0 |  0.00
Modify  | 0.18448    | 0.18448    | 0.18448    |   0.0 |  0.12
Other   |            | 0.02892    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4124.00 ave        4124 max        4124 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239468.0 ave      239468 max      239468 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239468
Ave neighs/atom = 119.73400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.730345212273, Press = -0.036210011689089
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  264000   -8387.7113   -8387.7113   -8473.8963   -8473.8963    333.54481    333.54481      23827.4      23827.4   -845.72239   -845.72239 
  265000   -8390.8059   -8390.8059   -8475.3686   -8475.3686    327.26646    327.26646    23766.294    23766.294    3108.4661    3108.4661 
Loop time of 130.945 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.660 ns/day, 36.374 hours/ns, 7.637 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 130.74     | 130.74     | 130.74     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034153   | 0.034153   | 0.034153   |   0.0 |  0.03
Output  | 8.6677e-05 | 8.6677e-05 | 8.6677e-05 |   0.0 |  0.00
Modify  | 0.15177    | 0.15177    | 0.15177    |   0.0 |  0.12
Other   |            | 0.0206     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4120.00 ave        4120 max        4120 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239108.0 ave      239108 max      239108 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239108
Ave neighs/atom = 119.55400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.733368135435, Press = -0.145674298368852
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  265000   -8390.8059   -8390.8059   -8475.3686   -8475.3686    327.26646    327.26646    23766.294    23766.294    3108.4661    3108.4661 
  266000   -8385.6528   -8385.6528    -8473.414    -8473.414    339.64481    339.64481    23839.151    23839.151   -1415.8362   -1415.8362 
Loop time of 132.413 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.653 ns/day, 36.781 hours/ns, 7.552 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 132.2      | 132.2      | 132.2      |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03462    | 0.03462    | 0.03462    |   0.0 |  0.03
Output  | 9.3002e-05 | 9.3002e-05 | 9.3002e-05 |   0.0 |  0.00
Modify  | 0.15318    | 0.15318    | 0.15318    |   0.0 |  0.12
Other   |            | 0.02077    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4127.00 ave        4127 max        4127 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      240190.0 ave      240190 max      240190 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 240190
Ave neighs/atom = 120.09500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.734862467529, Press = -0.523131472946807
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  266000   -8385.6528   -8385.6528    -8473.414    -8473.414    339.64481    339.64481    23839.151    23839.151   -1415.8362   -1415.8362 
  267000   -8392.5533   -8392.5533   -8475.3701   -8475.3701    320.50981    320.50981    23826.372    23826.372   -1066.9431   -1066.9431 
Loop time of 131.139 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.659 ns/day, 36.427 hours/ns, 7.626 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 130.93     | 130.93     | 130.93     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034541   | 0.034541   | 0.034541   |   0.0 |  0.03
Output  | 8.2833e-05 | 8.2833e-05 | 8.2833e-05 |   0.0 |  0.00
Modify  | 0.15407    | 0.15407    | 0.15407    |   0.0 |  0.12
Other   |            | 0.02137    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4126.00 ave        4126 max        4126 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238956.0 ave      238956 max      238956 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238956
Ave neighs/atom = 119.47800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.731312647969, Press = -0.0284368902298712
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  267000   -8392.5533   -8392.5533   -8475.3701   -8475.3701    320.50981    320.50981    23826.372    23826.372   -1066.9431   -1066.9431 
  268000      -8386.6      -8386.6   -8471.9982   -8471.9982    330.49976    330.49976    23797.498    23797.498    1418.3264    1418.3264 
Loop time of 132.288 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.653 ns/day, 36.747 hours/ns, 7.559 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 132.08     | 132.08     | 132.08     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03453    | 0.03453    | 0.03453    |   0.0 |  0.03
Output  | 8.682e-05  | 8.682e-05  | 8.682e-05  |   0.0 |  0.00
Modify  | 0.15368    | 0.15368    | 0.15368    |   0.0 |  0.12
Other   |            | 0.02084    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4127.00 ave        4127 max        4127 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239022.0 ave      239022 max      239022 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239022
Ave neighs/atom = 119.51100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.723781450363, Press = -0.168694793714565
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  268000      -8386.6      -8386.6   -8471.9982   -8471.9982    330.49976    330.49976    23797.498    23797.498    1418.3264    1418.3264 
  269000   -8384.2802   -8384.2802   -8470.8367   -8470.8367    334.98224    334.98224    23825.899    23825.899   -321.04576   -321.04576 
Loop time of 166.748 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.518 ns/day, 46.319 hours/ns, 5.997 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 166.48     | 166.48     | 166.48     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.044015   | 0.044015   | 0.044015   |   0.0 |  0.03
Output  | 9.2838e-05 | 9.2838e-05 | 9.2838e-05 |   0.0 |  0.00
Modify  | 0.19719    | 0.19719    | 0.19719    |   0.0 |  0.12
Other   |            | 0.02886    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4128.00 ave        4128 max        4128 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239780.0 ave      239780 max      239780 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239780
Ave neighs/atom = 119.89000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.722853955467, Press = -0.271582206263277
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  269000   -8384.2802   -8384.2802   -8470.8367   -8470.8367    334.98224    334.98224    23825.899    23825.899   -321.04576   -321.04576 
  270000   -8388.6488   -8388.6488   -8474.8391   -8474.8391    333.56521    333.56521     23819.17     23819.17   -414.82058   -414.82058 
Loop time of 148.767 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.581 ns/day, 41.324 hours/ns, 6.722 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 148.52     | 148.52     | 148.52     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039894   | 0.039894   | 0.039894   |   0.0 |  0.03
Output  | 0.00017421 | 0.00017421 | 0.00017421 |   0.0 |  0.00
Modify  | 0.17834    | 0.17834    | 0.17834    |   0.0 |  0.12
Other   |            | 0.0266     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4122.00 ave        4122 max        4122 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239430.0 ave      239430 max      239430 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239430
Ave neighs/atom = 119.71500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.732655534586, Press = -0.180609664124277
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  270000   -8388.6488   -8388.6488   -8474.8391   -8474.8391    333.56521    333.56521     23819.17     23819.17   -414.82058   -414.82058 
  271000    -8380.691    -8380.691   -8469.8771   -8469.8771     345.1595     345.1595    23825.336    23825.336    17.044201    17.044201 
Loop time of 154.55 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.559 ns/day, 42.931 hours/ns, 6.470 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 154.3      | 154.3      | 154.3      |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041139   | 0.041139   | 0.041139   |   0.0 |  0.03
Output  | 8.6909e-05 | 8.6909e-05 | 8.6909e-05 |   0.0 |  0.00
Modify  | 0.18489    | 0.18489    | 0.18489    |   0.0 |  0.12
Other   |            | 0.02727    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4124.00 ave        4124 max        4124 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239210.0 ave      239210 max      239210 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239210
Ave neighs/atom = 119.60500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.743367922266, Press = -0.190991516833797
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  271000    -8380.691    -8380.691   -8469.8771   -8469.8771     345.1595     345.1595    23825.336    23825.336    17.044201    17.044201 
  272000   -8388.2186   -8388.2186   -8474.0027   -8474.0027    331.99315    331.99315    23810.499    23810.499    234.36714    234.36714 
Loop time of 128.641 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.672 ns/day, 35.734 hours/ns, 7.774 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 128.43     | 128.43     | 128.43     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034136   | 0.034136   | 0.034136   |   0.0 |  0.03
Output  | 8.6935e-05 | 8.6935e-05 | 8.6935e-05 |   0.0 |  0.00
Modify  | 0.15235    | 0.15235    | 0.15235    |   0.0 |  0.12
Other   |            | 0.02155    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239414.0 ave      239414 max      239414 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239414
Ave neighs/atom = 119.70700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.753987268155, Press = -0.20015144352284
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  272000   -8388.2186   -8388.2186   -8474.0027   -8474.0027    331.99315    331.99315    23810.499    23810.499    234.36714    234.36714 
  273000   -8385.8036   -8385.8036   -8474.0569   -8474.0569    341.54919    341.54919     23822.79     23822.79   -337.93974   -337.93974 
Loop time of 129.891 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.665 ns/day, 36.081 hours/ns, 7.699 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 129.68     | 129.68     | 129.68     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03403    | 0.03403    | 0.03403    |   0.0 |  0.03
Output  | 8.5706e-05 | 8.5706e-05 | 8.5706e-05 |   0.0 |  0.00
Modify  | 0.15136    | 0.15136    | 0.15136    |   0.0 |  0.12
Other   |            | 0.02104    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4124.00 ave        4124 max        4124 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239622.0 ave      239622 max      239622 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239622
Ave neighs/atom = 119.81100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.757232383817, Press = -0.235624728479786
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  273000   -8385.8036   -8385.8036   -8474.0569   -8474.0569    341.54919    341.54919     23822.79     23822.79   -337.93974   -337.93974 
  274000   -8385.7384   -8385.7384   -8474.4031   -8474.4031    343.14174    343.14174    23819.917    23819.917   -303.33223   -303.33223 
Loop time of 132.542 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.652 ns/day, 36.817 hours/ns, 7.545 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 132.33     | 132.33     | 132.33     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034514   | 0.034514   | 0.034514   |   0.0 |  0.03
Output  | 8.7137e-05 | 8.7137e-05 | 8.7137e-05 |   0.0 |  0.00
Modify  | 0.15417    | 0.15417    | 0.15417    |   0.0 |  0.12
Other   |            | 0.02113    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239132.0 ave      239132 max      239132 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239132
Ave neighs/atom = 119.56600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.763775284017, Press = -0.21787210649109
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  274000   -8385.7384   -8385.7384   -8474.4031   -8474.4031    343.14174    343.14174    23819.917    23819.917   -303.33223   -303.33223 
  275000    -8389.316    -8389.316   -8474.9808   -8474.9808    331.53149    331.53149    23809.136    23809.136    226.48013    226.48013 
Loop time of 130.919 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.660 ns/day, 36.366 hours/ns, 7.638 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 130.69     | 130.69     | 130.69     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035977   | 0.035977   | 0.035977   |   0.0 |  0.03
Output  | 0.00011538 | 0.00011538 | 0.00011538 |   0.0 |  0.00
Modify  | 0.16493    | 0.16493    | 0.16493    |   0.0 |  0.13
Other   |            | 0.02799    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4121.00 ave        4121 max        4121 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239270.0 ave      239270 max      239270 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239270
Ave neighs/atom = 119.63500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.775650920533, Press = -0.254435950732315
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  275000    -8389.316    -8389.316   -8474.9808   -8474.9808    331.53149    331.53149    23809.136    23809.136    226.48013    226.48013 
  276000   -8387.6064   -8387.6064   -8475.2866   -8475.2866    339.33132    339.33132    23819.383    23819.383    -435.1268    -435.1268 
Loop time of 130.847 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.660 ns/day, 36.346 hours/ns, 7.643 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 130.64     | 130.64     | 130.64     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034546   | 0.034546   | 0.034546   |   0.0 |  0.03
Output  | 8.8099e-05 | 8.8099e-05 | 8.8099e-05 |   0.0 |  0.00
Modify  | 0.15481    | 0.15481    | 0.15481    |   0.0 |  0.12
Other   |            | 0.02188    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4123.00 ave        4123 max        4123 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239524.0 ave      239524 max      239524 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239524
Ave neighs/atom = 119.76200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.781233661555, Press = -0.245893772901924
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  276000   -8387.6064   -8387.6064   -8475.2866   -8475.2866    339.33132    339.33132    23819.383    23819.383    -435.1268    -435.1268 
  277000   -8391.4194   -8391.4194   -8474.1488   -8474.1488    320.17102    320.17102     23805.43     23805.43    442.90311    442.90311 
Loop time of 131.572 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.657 ns/day, 36.548 hours/ns, 7.600 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.36     | 131.36     | 131.36     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034607   | 0.034607   | 0.034607   |   0.0 |  0.03
Output  | 9.1087e-05 | 9.1087e-05 | 9.1087e-05 |   0.0 |  0.00
Modify  | 0.15493    | 0.15493    | 0.15493    |   0.0 |  0.12
Other   |            | 0.02147    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4122.00 ave        4122 max        4122 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239178.0 ave      239178 max      239178 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239178
Ave neighs/atom = 119.58900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.784705656209, Press = -0.0843216150770136
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  277000   -8391.4194   -8391.4194   -8474.1488   -8474.1488    320.17102    320.17102     23805.43     23805.43    442.90311    442.90311 
  278000   -8387.2102   -8387.2102   -8472.3639   -8472.3639    329.55393    329.55393    23777.552    23777.552    2756.4273    2756.4273 
Loop time of 129.801 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.666 ns/day, 36.056 hours/ns, 7.704 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 129.58     | 129.58     | 129.58     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035063   | 0.035063   | 0.035063   |   0.0 |  0.03
Output  | 8.6657e-05 | 8.6657e-05 | 8.6657e-05 |   0.0 |  0.00
Modify  | 0.15734    | 0.15734    | 0.15734    |   0.0 |  0.12
Other   |            | 0.02358    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4133.00 ave        4133 max        4133 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239730.0 ave      239730 max      239730 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239730
Ave neighs/atom = 119.86500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.776585378268, Press = -0.311417808135692
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  278000   -8387.2102   -8387.2102   -8472.3639   -8472.3639    329.55393    329.55393    23777.552    23777.552    2756.4273    2756.4273 
  279000   -8393.5668   -8393.5668   -8477.5762   -8477.5762    325.12521    325.12521    23843.252    23843.252   -2537.4177   -2537.4177 
Loop time of 137.631 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.628 ns/day, 38.231 hours/ns, 7.266 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 137.41     | 137.41     | 137.41     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.036222   | 0.036222   | 0.036222   |   0.0 |  0.03
Output  | 8.547e-05  | 8.547e-05  | 8.547e-05  |   0.0 |  0.00
Modify  | 0.16081    | 0.16081    | 0.16081    |   0.0 |  0.12
Other   |            | 0.02259    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4136.00 ave        4136 max        4136 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      240168.0 ave      240168 max      240168 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 240168
Ave neighs/atom = 120.08400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.769389238299, Press = -0.517537934632202
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  279000   -8393.5668   -8393.5668   -8477.5762   -8477.5762    325.12521    325.12521    23843.252    23843.252   -2537.4177   -2537.4177 
  280000   -8387.6928   -8387.6928   -8475.6525   -8475.6525    340.41341    340.41341    23830.818    23830.818   -1218.2477   -1218.2477 
Loop time of 130.401 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.663 ns/day, 36.223 hours/ns, 7.669 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 130.2      | 130.2      | 130.2      |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033859   | 0.033859   | 0.033859   |   0.0 |  0.03
Output  | 9.3176e-05 | 9.3176e-05 | 9.3176e-05 |   0.0 |  0.00
Modify  | 0.15086    | 0.15086    | 0.15086    |   0.0 |  0.12
Other   |            | 0.02044    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238654.0 ave      238654 max      238654 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238654
Ave neighs/atom = 119.32700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.768317779854, Press = 0.0324535035574104
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  280000   -8387.6928   -8387.6928   -8475.6525   -8475.6525    340.41341    340.41341    23830.818    23830.818   -1218.2477   -1218.2477 
  281000   -8388.3114   -8388.3114   -8473.7207   -8473.7207    330.54273    330.54273     23798.49     23798.49    1239.2072    1239.2072 
Loop time of 132.046 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.654 ns/day, 36.680 hours/ns, 7.573 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.84     | 131.84     | 131.84     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034208   | 0.034208   | 0.034208   |   0.0 |  0.03
Output  | 8.7754e-05 | 8.7754e-05 | 8.7754e-05 |   0.0 |  0.00
Modify  | 0.15245    | 0.15245    | 0.15245    |   0.0 |  0.12
Other   |            | 0.02079    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239122.0 ave      239122 max      239122 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239122
Ave neighs/atom = 119.56100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.767691724173, Press = -0.254360389749858
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  281000   -8388.3114   -8388.3114   -8473.7207   -8473.7207    330.54273    330.54273     23798.49     23798.49    1239.2072    1239.2072 
  282000   -8387.1455   -8387.1455   -8472.8305   -8472.8305    331.60968    331.60968    23829.996    23829.996   -841.30708   -841.30708 
Loop time of 132.865 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.650 ns/day, 36.907 hours/ns, 7.526 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 132.66     | 132.66     | 132.66     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034647   | 0.034647   | 0.034647   |   0.0 |  0.03
Output  | 9.1162e-05 | 9.1162e-05 | 9.1162e-05 |   0.0 |  0.00
Modify  | 0.15282    | 0.15282    | 0.15282    |   0.0 |  0.12
Other   |            | 0.02061    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4124.00 ave        4124 max        4124 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239740.0 ave      239740 max      239740 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239740
Ave neighs/atom = 119.87000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.765002361206, Press = -0.315555047329892
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  282000   -8387.1455   -8387.1455   -8472.8305   -8472.8305    331.60968    331.60968    23829.996    23829.996   -841.30708   -841.30708 
  283000   -8389.3507   -8389.3507   -8474.6342   -8474.6342    330.05588    330.05588    23819.772    23819.772   -402.57911   -402.57911 
Loop time of 131.49 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.657 ns/day, 36.525 hours/ns, 7.605 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.28     | 131.28     | 131.28     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03502    | 0.03502    | 0.03502    |   0.0 |  0.03
Output  | 9.2406e-05 | 9.2406e-05 | 9.2406e-05 |   0.0 |  0.00
Modify  | 0.15489    | 0.15489    | 0.15489    |   0.0 |  0.12
Other   |            | 0.02176    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4126.00 ave        4126 max        4126 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239202.0 ave      239202 max      239202 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239202
Ave neighs/atom = 119.60100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.76832788232, Press = -0.116018022946627
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  283000   -8389.3507   -8389.3507   -8474.6342   -8474.6342    330.05588    330.05588    23819.772    23819.772   -402.57911   -402.57911 
  284000   -8387.3251   -8387.3251   -8474.3017   -8474.3017    336.60858    336.60858    23789.746    23789.746    1794.3869    1794.3869 
Loop time of 129.319 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.668 ns/day, 35.922 hours/ns, 7.733 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 129.1      | 129.1      | 129.1      |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035557   | 0.035557   | 0.035557   |   0.0 |  0.03
Output  | 9.3927e-05 | 9.3927e-05 | 9.3927e-05 |   0.0 |  0.00
Modify  | 0.16043    | 0.16043    | 0.16043    |   0.0 |  0.12
Other   |            | 0.02531    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4124.00 ave        4124 max        4124 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239460.0 ave      239460 max      239460 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239460
Ave neighs/atom = 119.73000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.756633180247, Press = -0.285928116719227
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  284000   -8387.3251   -8387.3251   -8474.3017   -8474.3017    336.60858    336.60858    23789.746    23789.746    1794.3869    1794.3869 
  285000   -8389.5315   -8389.5315   -8477.3932   -8477.3932    340.03402    340.03402    23837.434    23837.434   -2000.5444   -2000.5444 
Loop time of 132.234 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.653 ns/day, 36.732 hours/ns, 7.562 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 132.02     | 132.02     | 132.02     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034711   | 0.034711   | 0.034711   |   0.0 |  0.03
Output  | 9.4573e-05 | 9.4573e-05 | 9.4573e-05 |   0.0 |  0.00
Modify  | 0.15534    | 0.15534    | 0.15534    |   0.0 |  0.12
Other   |            | 0.02175    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4121.00 ave        4121 max        4121 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239720.0 ave      239720 max      239720 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239720
Ave neighs/atom = 119.86000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.752649566063, Press = -0.407161327759433
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  285000   -8389.5315   -8389.5315   -8477.3932   -8477.3932    340.03402    340.03402    23837.434    23837.434   -2000.5444   -2000.5444 
  286000   -8387.4402   -8387.4402   -8473.6536   -8473.6536    333.65491    333.65491    23822.852    23822.852    -362.7614    -362.7614 
Loop time of 131.797 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.656 ns/day, 36.610 hours/ns, 7.587 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.58     | 131.58     | 131.58     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035262   | 0.035262   | 0.035262   |   0.0 |  0.03
Output  | 8.85e-05   | 8.85e-05   | 8.85e-05   |   0.0 |  0.00
Modify  | 0.15651    | 0.15651    | 0.15651    |   0.0 |  0.12
Other   |            | 0.0227     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4124.00 ave        4124 max        4124 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239024.0 ave      239024 max      239024 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239024
Ave neighs/atom = 119.51200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.747362578588, Press = 0.00407280748198236
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  286000   -8387.4402   -8387.4402   -8473.6536   -8473.6536    333.65491    333.65491    23822.852    23822.852    -362.7614    -362.7614 
  287000   -8388.2814   -8388.2814   -8472.8603   -8472.8603    327.32913    327.32913     23775.45     23775.45    3060.9152    3060.9152 
Loop time of 132.389 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.653 ns/day, 36.775 hours/ns, 7.553 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 132.18     | 132.18     | 132.18     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034581   | 0.034581   | 0.034581   |   0.0 |  0.03
Output  | 8.7748e-05 | 8.7748e-05 | 8.7748e-05 |   0.0 |  0.00
Modify  | 0.15263    | 0.15263    | 0.15263    |   0.0 |  0.12
Other   |            | 0.02044    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4128.00 ave        4128 max        4128 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239114.0 ave      239114 max      239114 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239114
Ave neighs/atom = 119.55700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.752203806427, Press = -0.302955409401551
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  287000   -8388.2814   -8388.2814   -8472.8603   -8472.8603    327.32913    327.32913     23775.45     23775.45    3060.9152    3060.9152 
  288000   -8384.7437   -8384.7437   -8472.6677   -8472.6677    340.27514    340.27514    23856.682    23856.682   -2579.8225   -2579.8225 
Loop time of 131.846 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.655 ns/day, 36.624 hours/ns, 7.585 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.63     | 131.63     | 131.63     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035226   | 0.035226   | 0.035226   |   0.0 |  0.03
Output  | 8.8498e-05 | 8.8498e-05 | 8.8498e-05 |   0.0 |  0.00
Modify  | 0.15858    | 0.15858    | 0.15858    |   0.0 |  0.12
Other   |            | 0.02412    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4120.00 ave        4120 max        4120 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      240004.0 ave      240004 max      240004 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 240004
Ave neighs/atom = 120.00200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.758704014723, Press = -0.502769597282309
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  288000   -8384.7437   -8384.7437   -8472.6677   -8472.6677    340.27514    340.27514    23856.682    23856.682   -2579.8225   -2579.8225 
  289000   -8390.0561   -8390.0561   -8475.6412   -8475.6412    331.22321    331.22321    23826.443    23826.443    -1061.036    -1061.036 
Loop time of 137.648 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.628 ns/day, 38.236 hours/ns, 7.265 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 137.41     | 137.41     | 137.41     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.037407   | 0.037407   | 0.037407   |   0.0 |  0.03
Output  | 9.2886e-05 | 9.2886e-05 | 9.2886e-05 |   0.0 |  0.00
Modify  | 0.16979    | 0.16979    | 0.16979    |   0.0 |  0.12
Other   |            | 0.02737    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238876.0 ave      238876 max      238876 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238876
Ave neighs/atom = 119.43800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.770019264727, Press = 0.224836005989163
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  289000   -8390.0561   -8390.0561   -8475.6412   -8475.6412    331.22321    331.22321    23826.443    23826.443    -1061.036    -1061.036 
  290000   -8390.3777   -8390.3777   -8476.8629   -8476.8629    334.70687    334.70687    23780.051    23780.051    1986.1975    1986.1975 
Loop time of 129.704 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.666 ns/day, 36.029 hours/ns, 7.710 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 129.5      | 129.5      | 129.5      |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034263   | 0.034263   | 0.034263   |   0.0 |  0.03
Output  | 8.5767e-05 | 8.5767e-05 | 8.5767e-05 |   0.0 |  0.00
Modify  | 0.15219    | 0.15219    | 0.15219    |   0.0 |  0.12
Other   |            | 0.02113    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4135.00 ave        4135 max        4135 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239050.0 ave      239050 max      239050 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239050
Ave neighs/atom = 119.52500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.771123426863, Press = -0.296797799530239
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  290000   -8390.3777   -8390.3777   -8476.8629   -8476.8629    334.70687    334.70687    23780.051    23780.051    1986.1975    1986.1975 
  291000   -8387.5338   -8387.5338   -8472.7514   -8472.7514    329.80086    329.80086    23837.665    23837.665   -1359.7528   -1359.7528 
Loop time of 132.164 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.654 ns/day, 36.712 hours/ns, 7.566 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.96     | 131.96     | 131.96     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034594   | 0.034594   | 0.034594   |   0.0 |  0.03
Output  | 8.4834e-05 | 8.4834e-05 | 8.4834e-05 |   0.0 |  0.00
Modify  | 0.15196    | 0.15196    | 0.15196    |   0.0 |  0.11
Other   |            | 0.02051    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239996.0 ave      239996 max      239996 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239996
Ave neighs/atom = 119.99800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.761111631251, Press = -0.299800820746062
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  291000   -8387.5338   -8387.5338   -8472.7514   -8472.7514    329.80086    329.80086    23837.665    23837.665   -1359.7528   -1359.7528 
  292000   -8391.9384   -8391.9384   -8474.8175   -8474.8175    320.75069    320.75069     23808.52     23808.52    153.57919    153.57919 
Loop time of 131.544 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.657 ns/day, 36.540 hours/ns, 7.602 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.33     | 131.33     | 131.33     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0347     | 0.0347     | 0.0347     |   0.0 |  0.03
Output  | 8.8928e-05 | 8.8928e-05 | 8.8928e-05 |   0.0 |  0.00
Modify  | 0.15445    | 0.15445    | 0.15445    |   0.0 |  0.12
Other   |            | 0.02161    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239156.0 ave      239156 max      239156 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239156
Ave neighs/atom = 119.57800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.756457746954, Press = -0.0695741636596533
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  292000   -8391.9384   -8391.9384   -8474.8175   -8474.8175    320.75069    320.75069     23808.52     23808.52    153.57919    153.57919 
  293000   -8385.5383   -8385.5383   -8473.9644   -8473.9644    342.21833    342.21833    23792.899    23792.899    1672.3403    1672.3403 
Loop time of 132.568 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.652 ns/day, 36.824 hours/ns, 7.543 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 132.36     | 132.36     | 132.36     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034673   | 0.034673   | 0.034673   |   0.0 |  0.03
Output  | 8.5615e-05 | 8.5615e-05 | 8.5615e-05 |   0.0 |  0.00
Modify  | 0.15288    | 0.15288    | 0.15288    |   0.0 |  0.12
Other   |            | 0.02046    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4127.00 ave        4127 max        4127 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239450.0 ave      239450 max      239450 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239450
Ave neighs/atom = 119.72500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.751329756423, Press = -0.290364659556597
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  293000   -8385.5383   -8385.5383   -8473.9644   -8473.9644    342.21833    342.21833    23792.899    23792.899    1672.3403    1672.3403 
  294000   -8390.6352   -8390.6352   -8474.0389   -8474.0389    322.78095    322.78095      23871.4      23871.4   -4025.8175   -4025.8175 
Loop time of 131.812 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.655 ns/day, 36.615 hours/ns, 7.587 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.6      | 131.6      | 131.6      |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034497   | 0.034497   | 0.034497   |   0.0 |  0.03
Output  | 8.8992e-05 | 8.8992e-05 | 8.8992e-05 |   0.0 |  0.00
Modify  | 0.15363    | 0.15363    | 0.15363    |   0.0 |  0.12
Other   |            | 0.02128    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4127.00 ave        4127 max        4127 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239642.0 ave      239642 max      239642 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239642
Ave neighs/atom = 119.82100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.748313877254, Press = -0.457979125738251
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  294000   -8390.6352   -8390.6352   -8474.0389   -8474.0389    322.78095    322.78095      23871.4      23871.4   -4025.8175   -4025.8175 
  295000     -8385.95     -8385.95   -8473.1581   -8473.1581    337.50446    337.50446    23812.775    23812.775    345.18186    345.18186 
Loop time of 131.474 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.657 ns/day, 36.521 hours/ns, 7.606 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.26     | 131.26     | 131.26     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034873   | 0.034873   | 0.034873   |   0.0 |  0.03
Output  | 8.3608e-05 | 8.3608e-05 | 8.3608e-05 |   0.0 |  0.00
Modify  | 0.15463    | 0.15463    | 0.15463    |   0.0 |  0.12
Other   |            | 0.0218     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4129.00 ave        4129 max        4129 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238456.0 ave      238456 max      238456 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238456
Ave neighs/atom = 119.22800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.746719522125, Press = 0.1363121925296
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  295000     -8385.95     -8385.95   -8473.1581   -8473.1581    337.50446    337.50446    23812.775    23812.775    345.18186    345.18186 
  296000   -8388.2469   -8388.2469   -8473.1422   -8473.1422    328.55362    328.55362     23785.21     23785.21    2154.0578    2154.0578 
Loop time of 132.192 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.654 ns/day, 36.720 hours/ns, 7.565 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.98     | 131.98     | 131.98     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034521   | 0.034521   | 0.034521   |   0.0 |  0.03
Output  | 8.306e-05  | 8.306e-05  | 8.306e-05  |   0.0 |  0.00
Modify  | 0.1532     | 0.1532     | 0.1532     |   0.0 |  0.12
Other   |            | 0.02107    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4127.00 ave        4127 max        4127 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239348.0 ave      239348 max      239348 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239348
Ave neighs/atom = 119.67400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.742727045679, Press = -0.277530318033939
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  296000   -8388.2469   -8388.2469   -8473.1422   -8473.1422    328.55362    328.55362     23785.21     23785.21    2154.0578    2154.0578 
  297000   -8385.5749   -8385.5749   -8470.6681   -8470.6681    329.31951    329.31951     23845.04     23845.04   -1604.2073   -1604.2073 
Loop time of 132.46 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.652 ns/day, 36.794 hours/ns, 7.549 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 132.25     | 132.25     | 132.25     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034706   | 0.034706   | 0.034706   |   0.0 |  0.03
Output  | 9.221e-05  | 9.221e-05  | 9.221e-05  |   0.0 |  0.00
Modify  | 0.15333    | 0.15333    | 0.15333    |   0.0 |  0.12
Other   |            | 0.02078    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4129.00 ave        4129 max        4129 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      240212.0 ave      240212 max      240212 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 240212
Ave neighs/atom = 120.10600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.754007989247, Press = -0.2751033414298
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  297000   -8385.5749   -8385.5749   -8470.6681   -8470.6681    329.31951    329.31951     23845.04     23845.04   -1604.2073   -1604.2073 
  298000   -8388.0353   -8388.0353   -8474.2269   -8474.2269    333.57061    333.57061    23809.175    23809.175    525.95714    525.95714 
Loop time of 135.966 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.635 ns/day, 37.768 hours/ns, 7.355 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 135.75     | 135.75     | 135.75     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035656   | 0.035656   | 0.035656   |   0.0 |  0.03
Output  | 0.00010915 | 0.00010915 | 0.00010915 |   0.0 |  0.00
Modify  | 0.15931    | 0.15931    | 0.15931    |   0.0 |  0.12
Other   |            | 0.02193    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4126.00 ave        4126 max        4126 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239156.0 ave      239156 max      239156 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239156
Ave neighs/atom = 119.57800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.759791793752, Press = -0.0222104329018426
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  298000   -8388.0353   -8388.0353   -8474.2269   -8474.2269    333.57061    333.57061    23809.175    23809.175    525.95714    525.95714 
  299000   -8387.6094   -8387.6094   -8475.5582   -8475.5582    340.37097    340.37097    23791.079    23791.079    1563.6361    1563.6361 
Loop time of 131.193 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.659 ns/day, 36.443 hours/ns, 7.622 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 130.98     | 130.98     | 130.98     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034348   | 0.034348   | 0.034348   |   0.0 |  0.03
Output  | 8.3652e-05 | 8.3652e-05 | 8.3652e-05 |   0.0 |  0.00
Modify  | 0.15337    | 0.15337    | 0.15337    |   0.0 |  0.12
Other   |            | 0.02106    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4124.00 ave        4124 max        4124 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239442.0 ave      239442 max      239442 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239442
Ave neighs/atom = 119.72100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.772155828603, Press = -0.34390520610159
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  299000   -8387.6094   -8387.6094   -8475.5582   -8475.5582    340.37097    340.37097    23791.079    23791.079    1563.6361    1563.6361 
  300000   -8385.5658   -8385.5658   -8473.1026   -8473.1026    338.77671    338.77671     23896.32     23896.32   -5380.4185   -5380.4185 
Loop time of 141.866 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.609 ns/day, 39.407 hours/ns, 7.049 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 141.63     | 141.63     | 141.63     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038464   | 0.038464   | 0.038464   |   0.0 |  0.03
Output  | 9.9442e-05 | 9.9442e-05 | 9.9442e-05 |   0.0 |  0.00
Modify  | 0.17304    | 0.17304    | 0.17304    |   0.0 |  0.12
Other   |            | 0.02719    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4123.00 ave        4123 max        4123 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239864.0 ave      239864 max      239864 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239864
Ave neighs/atom = 119.93200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.775604782739, Press = -0.41221618357188
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  300000   -8385.5658   -8385.5658   -8473.1026   -8473.1026    338.77671    338.77671     23896.32     23896.32   -5380.4185   -5380.4185 
  301000   -8389.6971   -8389.6971   -8475.4726   -8475.4726    331.96035    331.96035    23804.537    23804.537    501.92652    501.92652 
Loop time of 138.665 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.623 ns/day, 38.518 hours/ns, 7.212 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 138.44     | 138.44     | 138.44     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.036105   | 0.036105   | 0.036105   |   0.0 |  0.03
Output  | 8.2846e-05 | 8.2846e-05 | 8.2846e-05 |   0.0 |  0.00
Modify  | 0.16193    | 0.16193    | 0.16193    |   0.0 |  0.12
Other   |            | 0.0222     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4121.00 ave        4121 max        4121 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238204.0 ave      238204 max      238204 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238204
Ave neighs/atom = 119.10200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.767670856981, Press = 0.208982735377909
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  301000   -8389.6971   -8389.6971   -8475.4726   -8475.4726    331.96035    331.96035    23804.537    23804.537    501.92652    501.92652 
  302000   -8389.0723   -8389.0723   -8473.8369   -8473.8369    328.04796    328.04796    23782.084    23782.084    2229.4979    2229.4979 
Loop time of 131.74 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.656 ns/day, 36.594 hours/ns, 7.591 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.53     | 131.53     | 131.53     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034816   | 0.034816   | 0.034816   |   0.0 |  0.03
Output  | 9.3232e-05 | 9.3232e-05 | 9.3232e-05 |   0.0 |  0.00
Modify  | 0.15642    | 0.15642    | 0.15642    |   0.0 |  0.12
Other   |            | 0.02275    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4129.00 ave        4129 max        4129 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239464.0 ave      239464 max      239464 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239464
Ave neighs/atom = 119.73200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.765003291954, Press = -0.303963674035695
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  302000   -8389.0723   -8389.0723   -8473.8369   -8473.8369    328.04796    328.04796    23782.084    23782.084    2229.4979    2229.4979 
  303000   -8385.7197   -8385.7197   -8471.7699   -8471.7699    333.02311    333.02311    23847.705    23847.705   -1838.0835   -1838.0835 
Loop time of 152.73 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.566 ns/day, 42.425 hours/ns, 6.548 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 152.47     | 152.47     | 152.47     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04162    | 0.04162    | 0.04162    |   0.0 |  0.03
Output  | 9.7254e-05 | 9.7254e-05 | 9.7254e-05 |   0.0 |  0.00
Modify  | 0.19002    | 0.19002    | 0.19002    |   0.0 |  0.12
Other   |            | 0.03153    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4126.00 ave        4126 max        4126 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239788.0 ave      239788 max      239788 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239788
Ave neighs/atom = 119.89400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.758594746128, Press = -0.254009069846837
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  303000   -8385.7197   -8385.7197   -8471.7699   -8471.7699    333.02311    333.02311    23847.705    23847.705   -1838.0835   -1838.0835 
  304000   -8387.2315   -8387.2315   -8474.3829   -8474.3829    337.28497    337.28497    23818.106    23818.106   -278.01444   -278.01444 
Loop time of 148.277 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.583 ns/day, 41.188 hours/ns, 6.744 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 148.02     | 148.02     | 148.02     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040694   | 0.040694   | 0.040694   |   0.0 |  0.03
Output  | 0.00015565 | 0.00015565 | 0.00015565 |   0.0 |  0.00
Modify  | 0.18455    | 0.18455    | 0.18455    |   0.0 |  0.12
Other   |            | 0.03066    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4121.00 ave        4121 max        4121 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238978.0 ave      238978 max      238978 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238978
Ave neighs/atom = 119.48900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.758506499643, Press = 0.0456078666986196
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  304000   -8387.2315   -8387.2315   -8474.3829   -8474.3829    337.28497    337.28497    23818.106    23818.106   -278.01444   -278.01444 
  305000   -8389.1333   -8389.1333   -8473.8519   -8473.8519     327.8694     327.8694    23783.134    23783.134    2187.6341    2187.6341 
Loop time of 174.715 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.495 ns/day, 48.532 hours/ns, 5.724 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 174.43     | 174.43     | 174.43     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.046722   | 0.046722   | 0.046722   |   0.0 |  0.03
Output  | 9.4331e-05 | 9.4331e-05 | 9.4331e-05 |   0.0 |  0.00
Modify  | 0.20834    | 0.20834    | 0.20834    |   0.0 |  0.12
Other   |            | 0.03078    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239410.0 ave      239410 max      239410 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239410
Ave neighs/atom = 119.70500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.761830948132, Press = -0.25037915109926
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  305000   -8389.1333   -8389.1333   -8473.8519   -8473.8519     327.8694     327.8694    23783.134    23783.134    2187.6341    2187.6341 
  306000    -8388.481    -8388.481   -8476.7627   -8476.7627    341.65908    341.65908    23844.861    23844.861   -2268.8548   -2268.8548 
Loop time of 130.075 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.664 ns/day, 36.132 hours/ns, 7.688 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 129.86     | 129.86     | 129.86     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034896   | 0.034896   | 0.034896   |   0.0 |  0.03
Output  | 9.0776e-05 | 9.0776e-05 | 9.0776e-05 |   0.0 |  0.00
Modify  | 0.15869    | 0.15869    | 0.15869    |   0.0 |  0.12
Other   |            | 0.02521    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4134.00 ave        4134 max        4134 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239930.0 ave      239930 max      239930 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239930
Ave neighs/atom = 119.96500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.752451422997, Press = -0.317648520029559
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  306000    -8388.481    -8388.481   -8476.7627   -8476.7627    341.65908    341.65908    23844.861    23844.861   -2268.8548   -2268.8548 
  307000   -8392.2316   -8392.2316   -8475.7863   -8475.7863    323.36547    323.36547    23825.895    23825.895   -1034.5748   -1034.5748 
Loop time of 132.105 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.654 ns/day, 36.696 hours/ns, 7.570 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.9      | 131.9      | 131.9      |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034478   | 0.034478   | 0.034478   |   0.0 |  0.03
Output  | 9.2929e-05 | 9.2929e-05 | 9.2929e-05 |   0.0 |  0.00
Modify  | 0.15352    | 0.15352    | 0.15352    |   0.0 |  0.12
Other   |            | 0.02071    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4134.00 ave        4134 max        4134 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238870.0 ave      238870 max      238870 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238870
Ave neighs/atom = 119.43500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.749851454791, Press = 0.171601314700116
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  307000   -8392.2316   -8392.2316   -8475.7863   -8475.7863    323.36547    323.36547    23825.895    23825.895   -1034.5748   -1034.5748 
  308000   -8386.2496   -8386.2496   -8473.2703   -8473.2703    336.77915    336.77915    23764.913    23764.913     3608.862     3608.862 
Loop time of 131.246 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.658 ns/day, 36.457 hours/ns, 7.619 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.03     | 131.03     | 131.03     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034983   | 0.034983   | 0.034983   |   0.0 |  0.03
Output  | 8.7177e-05 | 8.7177e-05 | 8.7177e-05 |   0.0 |  0.00
Modify  | 0.15663    | 0.15663    | 0.15663    |   0.0 |  0.12
Other   |            | 0.02272    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4123.00 ave        4123 max        4123 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239134.0 ave      239134 max      239134 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239134
Ave neighs/atom = 119.56700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.742590844597, Press = -0.190769625885476
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  308000   -8386.2496   -8386.2496   -8473.2703   -8473.2703    336.77915    336.77915    23764.913    23764.913     3608.862     3608.862 
  309000   -8389.9622   -8389.9622   -8476.1176   -8476.1176    333.43035    333.43035    23826.346    23826.346   -1105.8245   -1105.8245 
Loop time of 132.802 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.651 ns/day, 36.889 hours/ns, 7.530 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 132.59     | 132.59     | 132.59     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034416   | 0.034416   | 0.034416   |   0.0 |  0.03
Output  | 9.1971e-05 | 9.1971e-05 | 9.1971e-05 |   0.0 |  0.00
Modify  | 0.153      | 0.153      | 0.153      |   0.0 |  0.12
Other   |            | 0.02068    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4123.00 ave        4123 max        4123 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      240244.0 ave      240244 max      240244 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 240244
Ave neighs/atom = 120.12200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.736396627167, Press = -0.256171019493547
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  309000   -8389.9622   -8389.9622   -8476.1176   -8476.1176    333.43035    333.43035    23826.346    23826.346   -1105.8245   -1105.8245 
  310000   -8388.1784   -8388.1784   -8474.6239   -8474.6239    334.55328    334.55328    23820.878    23820.878   -440.37095   -440.37095 
Loop time of 132.175 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.654 ns/day, 36.715 hours/ns, 7.566 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.97     | 131.97     | 131.97     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034626   | 0.034626   | 0.034626   |   0.0 |  0.03
Output  | 8.4856e-05 | 8.4856e-05 | 8.4856e-05 |   0.0 |  0.00
Modify  | 0.15296    | 0.15296    | 0.15296    |   0.0 |  0.12
Other   |            | 0.02073    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4123.00 ave        4123 max        4123 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239044.0 ave      239044 max      239044 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239044
Ave neighs/atom = 119.52200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.742255857573, Press = -0.0594683925672772
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  310000   -8388.1784   -8388.1784   -8474.6239   -8474.6239    334.55328    334.55328    23820.878    23820.878   -440.37095   -440.37095 
  311000   -8387.7607   -8387.7607    -8472.477    -8472.477    327.86073    327.86073    23798.345    23798.345    1398.9894    1398.9894 
Loop time of 130.41 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.663 ns/day, 36.225 hours/ns, 7.668 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 130.2      | 130.2      | 130.2      |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034114   | 0.034114   | 0.034114   |   0.0 |  0.03
Output  | 8.777e-05  | 8.777e-05  | 8.777e-05  |   0.0 |  0.00
Modify  | 0.15137    | 0.15137    | 0.15137    |   0.0 |  0.12
Other   |            | 0.0205     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4126.00 ave        4126 max        4126 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239174.0 ave      239174 max      239174 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239174
Ave neighs/atom = 119.58700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.741882249944, Press = -0.138223172820265
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  311000   -8387.7607   -8387.7607    -8472.477    -8472.477    327.86073    327.86073    23798.345    23798.345    1398.9894    1398.9894 
  312000   -8386.1657   -8386.1657   -8472.6923   -8472.6923    334.86681    334.86681    23834.573    23834.573   -1145.4643   -1145.4643 
Loop time of 130.147 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.664 ns/day, 36.152 hours/ns, 7.684 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 129.94     | 129.94     | 129.94     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033979   | 0.033979   | 0.033979   |   0.0 |  0.03
Output  | 8.7491e-05 | 8.7491e-05 | 8.7491e-05 |   0.0 |  0.00
Modify  | 0.15117    | 0.15117    | 0.15117    |   0.0 |  0.12
Other   |            | 0.02064    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4123.00 ave        4123 max        4123 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239674.0 ave      239674 max      239674 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239674
Ave neighs/atom = 119.83700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.748377464674, Press = -0.293923592525098
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  312000   -8386.1657   -8386.1657   -8472.6923   -8472.6923    334.86681    334.86681    23834.573    23834.573   -1145.4643   -1145.4643 
  313000   -8388.6079   -8388.6079   -8474.7904   -8474.7904    333.53529    333.53529    23829.712    23829.712    -1154.964    -1154.964 
Loop time of 140.487 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.615 ns/day, 39.024 hours/ns, 7.118 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 140.25     | 140.25     | 140.25     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.037986   | 0.037986   | 0.037986   |   0.0 |  0.03
Output  | 8.6873e-05 | 8.6873e-05 | 8.6873e-05 |   0.0 |  0.00
Modify  | 0.17072    | 0.17072    | 0.17072    |   0.0 |  0.12
Other   |            | 0.02634    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4127.00 ave        4127 max        4127 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239092.0 ave      239092 max      239092 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239092
Ave neighs/atom = 119.54600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.753705715151, Press = 0.0406993260549223
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  313000   -8388.6079   -8388.6079   -8474.7904   -8474.7904    333.53529    333.53529    23829.712    23829.712    -1154.964    -1154.964 
  314000   -8391.6785   -8391.6785   -8476.2378   -8476.2378    327.25327    327.25327    23774.318    23774.318    2373.2287    2373.2287 
Loop time of 131.996 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.655 ns/day, 36.666 hours/ns, 7.576 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.78     | 131.78     | 131.78     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035121   | 0.035121   | 0.035121   |   0.0 |  0.03
Output  | 9.1709e-05 | 9.1709e-05 | 9.1709e-05 |   0.0 |  0.00
Modify  | 0.15786    | 0.15786    | 0.15786    |   0.0 |  0.12
Other   |            | 0.02329    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4134.00 ave        4134 max        4134 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239094.0 ave      239094 max      239094 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239094
Ave neighs/atom = 119.54700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.75577098825, Press = -0.114116881428658
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  314000   -8391.6785   -8391.6785   -8476.2378   -8476.2378    327.25327    327.25327    23774.318    23774.318    2373.2287    2373.2287 
  315000   -8386.6704   -8386.6704    -8474.112    -8474.112    338.40803    338.40803    23831.395    23831.395   -1006.4437   -1006.4437 
Loop time of 131.151 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.659 ns/day, 36.431 hours/ns, 7.625 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 130.93     | 130.93     | 130.93     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035093   | 0.035093   | 0.035093   |   0.0 |  0.03
Output  | 9.4512e-05 | 9.4512e-05 | 9.4512e-05 |   0.0 |  0.00
Modify  | 0.15984    | 0.15984    | 0.15984    |   0.0 |  0.12
Other   |            | 0.02501    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4132.00 ave        4132 max        4132 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239982.0 ave      239982 max      239982 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239982
Ave neighs/atom = 119.99100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.750806323639, Press = -0.363257412247921
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  315000   -8386.6704   -8386.6704    -8474.112    -8474.112    338.40803    338.40803    23831.395    23831.395   -1006.4437   -1006.4437 
  316000    -8385.268    -8385.268   -8471.7629   -8471.7629    334.74402    334.74402    23855.293    23855.293   -2303.1404   -2303.1404 
Loop time of 134.289 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.643 ns/day, 37.303 hours/ns, 7.447 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 134.07     | 134.07     | 134.07     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035788   | 0.035788   | 0.035788   |   0.0 |  0.03
Output  | 8.6374e-05 | 8.6374e-05 | 8.6374e-05 |   0.0 |  0.00
Modify  | 0.16005    | 0.16005    | 0.16005    |   0.0 |  0.12
Other   |            | 0.02319    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239046.0 ave      239046 max      239046 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239046
Ave neighs/atom = 119.52300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.746699674518, Press = 0.0417380287682569
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  316000    -8385.268    -8385.268   -8471.7629   -8471.7629    334.74402    334.74402    23855.293    23855.293   -2303.1404   -2303.1404 
  317000   -8389.4121   -8389.4121   -8474.7289   -8474.7289    330.18473    330.18473    23763.927    23763.927    3534.0061    3534.0061 
Loop time of 130.94 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.660 ns/day, 36.372 hours/ns, 7.637 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 130.73     | 130.73     | 130.73     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034498   | 0.034498   | 0.034498   |   0.0 |  0.03
Output  | 9.1081e-05 | 9.1081e-05 | 9.1081e-05 |   0.0 |  0.00
Modify  | 0.15466    | 0.15466    | 0.15466    |   0.0 |  0.12
Other   |            | 0.02188    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238712.0 ave      238712 max      238712 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238712
Ave neighs/atom = 119.35600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.749200557145, Press = -0.0349124960488283
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  317000   -8389.4121   -8389.4121   -8474.7289   -8474.7289    330.18473    330.18473    23763.927    23763.927    3534.0061    3534.0061 
  318000   -8390.0961   -8390.0961   -8474.4741   -8474.4741    326.55163    326.55163     23816.42     23816.42   -299.38165   -299.38165 
Loop time of 132.1 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.654 ns/day, 36.695 hours/ns, 7.570 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.89     | 131.89     | 131.89     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034614   | 0.034614   | 0.034614   |   0.0 |  0.03
Output  | 8.1784e-05 | 8.1784e-05 | 8.1784e-05 |   0.0 |  0.00
Modify  | 0.15414    | 0.15414    | 0.15414    |   0.0 |  0.12
Other   |            | 0.02147    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4132.00 ave        4132 max        4132 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      240106.0 ave      240106 max      240106 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 240106
Ave neighs/atom = 120.05300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.746875031132, Press = -0.318010649374302
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  318000   -8390.0961   -8390.0961   -8474.4741   -8474.4741    326.55163    326.55163     23816.42     23816.42   -299.38165   -299.38165 
  319000   -8385.5108   -8385.5108   -8473.0912   -8473.0912    338.94546    338.94546    23829.297    23829.297   -803.62462   -803.62462 
Loop time of 131.977 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.655 ns/day, 36.660 hours/ns, 7.577 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.77     | 131.77     | 131.77     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034829   | 0.034829   | 0.034829   |   0.0 |  0.03
Output  | 9.1813e-05 | 9.1813e-05 | 9.1813e-05 |   0.0 |  0.00
Modify  | 0.15478    | 0.15478    | 0.15478    |   0.0 |  0.12
Other   |            | 0.02142    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4131.00 ave        4131 max        4131 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239402.0 ave      239402 max      239402 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239402
Ave neighs/atom = 119.70100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.740719651136, Press = -0.103113283717192
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  319000   -8385.5108   -8385.5108   -8473.0912   -8473.0912    338.94546    338.94546    23829.297    23829.297   -803.62462   -803.62462 
  320000   -8387.8185   -8387.8185   -8475.8809   -8475.8809    340.81045    340.81045    23810.953    23810.953    123.80196    123.80196 
Loop time of 129.821 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.666 ns/day, 36.061 hours/ns, 7.703 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 129.61     | 129.61     | 129.61     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034777   | 0.034777   | 0.034777   |   0.0 |  0.03
Output  | 8.5914e-05 | 8.5914e-05 | 8.5914e-05 |   0.0 |  0.00
Modify  | 0.15534    | 0.15534    | 0.15534    |   0.0 |  0.12
Other   |            | 0.0227     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4132.00 ave        4132 max        4132 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239142.0 ave      239142 max      239142 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239142
Ave neighs/atom = 119.57100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.74356237508, Press = -0.112078978166461
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  320000   -8387.8185   -8387.8185   -8475.8809   -8475.8809    340.81045    340.81045    23810.953    23810.953    123.80196    123.80196 
  321000   -8386.0021   -8386.0021   -8471.1905   -8471.1905     329.6877     329.6877    23816.959    23816.959    258.69068    258.69068 
Loop time of 131.183 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.659 ns/day, 36.440 hours/ns, 7.623 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 130.97     | 130.97     | 130.97     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034602   | 0.034602   | 0.034602   |   0.0 |  0.03
Output  | 9.1838e-05 | 9.1838e-05 | 9.1838e-05 |   0.0 |  0.00
Modify  | 0.15419    | 0.15419    | 0.15419    |   0.0 |  0.12
Other   |            | 0.0217     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4131.00 ave        4131 max        4131 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239426.0 ave      239426 max      239426 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239426
Ave neighs/atom = 119.71300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.756267403971, Press = -0.225397819858168
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  321000   -8386.0021   -8386.0021   -8471.1905   -8471.1905     329.6877     329.6877    23816.959    23816.959    258.69068    258.69068 
  322000   -8387.1438   -8387.1438   -8474.0102   -8474.0102    336.18226    336.18226     23833.32     23833.32   -1220.4755   -1220.4755 
Loop time of 130.028 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.664 ns/day, 36.119 hours/ns, 7.691 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 129.82     | 129.82     | 129.82     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034045   | 0.034045   | 0.034045   |   0.0 |  0.03
Output  | 8.6081e-05 | 8.6081e-05 | 8.6081e-05 |   0.0 |  0.00
Modify  | 0.15187    | 0.15187    | 0.15187    |   0.0 |  0.12
Other   |            | 0.02074    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4126.00 ave        4126 max        4126 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239364.0 ave      239364 max      239364 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239364
Ave neighs/atom = 119.68200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.7587547545, Press = -0.0435466793842381
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  322000   -8387.1438   -8387.1438   -8474.0102   -8474.0102    336.18226    336.18226     23833.32     23833.32   -1220.4755   -1220.4755 
  323000   -8389.3781   -8389.3781   -8476.1776   -8476.1776    335.92277    335.92277    23775.759    23775.759    2468.6679    2468.6679 
Loop time of 130.144 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.664 ns/day, 36.151 hours/ns, 7.684 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 129.93     | 129.93     | 129.93     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034601   | 0.034601   | 0.034601   |   0.0 |  0.03
Output  | 9.6212e-05 | 9.6212e-05 | 9.6212e-05 |   0.0 |  0.00
Modify  | 0.15473    | 0.15473    | 0.15473    |   0.0 |  0.12
Other   |            | 0.02223    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4121.00 ave        4121 max        4121 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239178.0 ave      239178 max      239178 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239178
Ave neighs/atom = 119.58900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.765653862637, Press = -0.106195296485742
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  323000   -8389.3781   -8389.3781   -8476.1776   -8476.1776    335.92277    335.92277    23775.759    23775.759    2468.6679    2468.6679 
  324000   -8384.9395   -8384.9395   -8471.6905   -8471.6905    335.73531    335.73531    23836.367    23836.367   -1132.3101   -1132.3101 
Loop time of 129.742 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.666 ns/day, 36.039 hours/ns, 7.708 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 129.53     | 129.53     | 129.53     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035026   | 0.035026   | 0.035026   |   0.0 |  0.03
Output  | 9.151e-05  | 9.151e-05  | 9.151e-05  |   0.0 |  0.00
Modify  | 0.15781    | 0.15781    | 0.15781    |   0.0 |  0.12
Other   |            | 0.02408    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239950.0 ave      239950 max      239950 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239950
Ave neighs/atom = 119.97500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.766334712548, Press = -0.460306521606737
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  324000   -8384.9395   -8384.9395   -8471.6905   -8471.6905    335.73531    335.73531    23836.367    23836.367   -1132.3101   -1132.3101 
  325000   -8390.4733   -8390.4733   -8476.0793   -8476.0793    331.30411    331.30411    23845.336    23845.336   -2372.0838   -2372.0838 
Loop time of 130.587 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.662 ns/day, 36.274 hours/ns, 7.658 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 130.38     | 130.38     | 130.38     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034355   | 0.034355   | 0.034355   |   0.0 |  0.03
Output  | 8.7412e-05 | 8.7412e-05 | 8.7412e-05 |   0.0 |  0.00
Modify  | 0.15307    | 0.15307    | 0.15307    |   0.0 |  0.12
Other   |            | 0.02147    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4123.00 ave        4123 max        4123 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239154.0 ave      239154 max      239154 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239154
Ave neighs/atom = 119.57700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.766869297601, Press = 0.0329696506730201
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  325000   -8390.4733   -8390.4733   -8476.0793   -8476.0793    331.30411    331.30411    23845.336    23845.336   -2372.0838   -2372.0838 
  326000   -8386.1728   -8386.1728   -8473.4318   -8473.4318    337.70131    337.70131    23795.556    23795.556    1444.3033    1444.3033 
Loop time of 129.53 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.667 ns/day, 35.981 hours/ns, 7.720 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 129.32     | 129.32     | 129.32     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0346     | 0.0346     | 0.0346     |   0.0 |  0.03
Output  | 9.2436e-05 | 9.2436e-05 | 9.2436e-05 |   0.0 |  0.00
Modify  | 0.1553     | 0.1553     | 0.1553     |   0.0 |  0.12
Other   |            | 0.02315    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4131.00 ave        4131 max        4131 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238850.0 ave      238850 max      238850 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238850
Ave neighs/atom = 119.42500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.75760289885, Press = -0.102834953927947
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  326000   -8386.1728   -8386.1728   -8473.4318   -8473.4318    337.70131    337.70131    23795.556    23795.556    1444.3033    1444.3033 
  327000    -8387.595    -8387.595   -8476.1923   -8476.1923     342.8807     342.8807    23816.324    23816.324   -368.10019   -368.10019 
Loop time of 155.924 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.554 ns/day, 43.312 hours/ns, 6.413 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 155.66     | 155.66     | 155.66     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.042642   | 0.042642   | 0.042642   |   0.0 |  0.03
Output  | 9.2964e-05 | 9.2964e-05 | 9.2964e-05 |   0.0 |  0.00
Modify  | 0.1935     | 0.1935     | 0.1935     |   0.0 |  0.12
Other   |            | 0.03142    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4128.00 ave        4128 max        4128 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239668.0 ave      239668 max      239668 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239668
Ave neighs/atom = 119.83400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.759475481183, Press = -0.225004819650678
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  327000    -8387.595    -8387.595   -8476.1923   -8476.1923     342.8807     342.8807    23816.324    23816.324   -368.10019   -368.10019 
  328000   -8387.7729   -8387.7729   -8473.8374   -8473.8374    333.07839    333.07839    23822.548    23822.548   -514.69531   -514.69531 
Loop time of 131.068 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.659 ns/day, 36.408 hours/ns, 7.630 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 130.84     | 130.84     | 130.84     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035848   | 0.035848   | 0.035848   |   0.0 |  0.03
Output  | 9.3816e-05 | 9.3816e-05 | 9.3816e-05 |   0.0 |  0.00
Modify  | 0.16216    | 0.16216    | 0.16216    |   0.0 |  0.12
Other   |            | 0.02542    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239296.0 ave      239296 max      239296 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239296
Ave neighs/atom = 119.64800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.771870908851, Press = -0.149534088987582
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  328000   -8387.7729   -8387.7729   -8473.8374   -8473.8374    333.07839    333.07839    23822.548    23822.548   -514.69531   -514.69531 
  329000   -8387.1647   -8387.1647   -8472.8508   -8472.8508    331.61414    331.61414    23795.754    23795.754    1484.7306    1484.7306 
Loop time of 166.524 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.519 ns/day, 46.257 hours/ns, 6.005 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 166.25     | 166.25     | 166.25     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.044536   | 0.044536   | 0.044536   |   0.0 |  0.03
Output  | 8.4771e-05 | 8.4771e-05 | 8.4771e-05 |   0.0 |  0.00
Modify  | 0.19874    | 0.19874    | 0.19874    |   0.0 |  0.12
Other   |            | 0.02992    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4122.00 ave        4122 max        4122 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239150.0 ave      239150 max      239150 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239150
Ave neighs/atom = 119.57500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.773276305111, Press = -0.11368223350879
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  329000   -8387.1647   -8387.1647   -8472.8508   -8472.8508    331.61414    331.61414    23795.754    23795.754    1484.7306    1484.7306 
  330000   -8390.5336   -8390.5336    -8475.069    -8475.069    327.16056    327.16056    23810.787    23810.787     27.12881     27.12881 
Loop time of 131.386 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.658 ns/day, 36.496 hours/ns, 7.611 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.18     | 131.18     | 131.18     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034332   | 0.034332   | 0.034332   |   0.0 |  0.03
Output  | 9.1815e-05 | 9.1815e-05 | 9.1815e-05 |   0.0 |  0.00
Modify  | 0.15347    | 0.15347    | 0.15347    |   0.0 |  0.12
Other   |            | 0.02126    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4127.00 ave        4127 max        4127 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239828.0 ave      239828 max      239828 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239828
Ave neighs/atom = 119.91400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.77660051899, Press = -0.41345334551748
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  330000   -8390.5336   -8390.5336    -8475.069    -8475.069    327.16056    327.16056    23810.787    23810.787     27.12881     27.12881 
  331000   -8387.4272   -8387.4272   -8473.7109   -8473.7109    333.92683    333.92683     23854.44     23854.44    -2731.035    -2731.035 
Loop time of 131.114 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.659 ns/day, 36.421 hours/ns, 7.627 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 130.9      | 130.9      | 130.9      |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034826   | 0.034826   | 0.034826   |   0.0 |  0.03
Output  | 8.797e-05  | 8.797e-05  | 8.797e-05  |   0.0 |  0.00
Modify  | 0.15495    | 0.15495    | 0.15495    |   0.0 |  0.12
Other   |            | 0.02199    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4124.00 ave        4124 max        4124 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239400.0 ave      239400 max      239400 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239400
Ave neighs/atom = 119.70000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.775526477824, Press = -0.0439268131249602
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  331000   -8387.4272   -8387.4272   -8473.7109   -8473.7109    333.92683    333.92683     23854.44     23854.44    -2731.035    -2731.035 
  332000   -8387.8394   -8387.8394   -8474.7739   -8474.7739    336.44528    336.44528    23782.931    23782.931    2171.0542    2171.0542 
Loop time of 157.198 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.550 ns/day, 43.666 hours/ns, 6.361 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 156.94     | 156.94     | 156.94     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04195    | 0.04195    | 0.04195    |   0.0 |  0.03
Output  | 8.5374e-05 | 8.5374e-05 | 8.5374e-05 |   0.0 |  0.00
Modify  | 0.18991    | 0.18991    | 0.18991    |   0.0 |  0.12
Other   |            | 0.02873    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4122.00 ave        4122 max        4122 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238714.0 ave      238714 max      238714 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238714
Ave neighs/atom = 119.35700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.776512104306, Press = -0.0322307150595063
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  332000   -8387.8394   -8387.8394   -8474.7739   -8474.7739    336.44528    336.44528    23782.931    23782.931    2171.0542    2171.0542 
  333000   -8382.1185   -8382.1185   -8471.2976   -8471.2976    345.13248    345.13248    23822.707    23822.707   -14.207474   -14.207474 
Loop time of 142.509 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.606 ns/day, 39.586 hours/ns, 7.017 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 142.27     | 142.27     | 142.27     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038433   | 0.038433   | 0.038433   |   0.0 |  0.03
Output  | 0.00015546 | 0.00015546 | 0.00015546 |   0.0 |  0.00
Modify  | 0.17411    | 0.17411    | 0.17411    |   0.0 |  0.12
Other   |            | 0.02704    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4122.00 ave        4122 max        4122 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239834.0 ave      239834 max      239834 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239834
Ave neighs/atom = 119.91700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.783229821668, Press = -0.318572120618096
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  333000   -8382.1185   -8382.1185   -8471.2976   -8471.2976    345.13248    345.13248    23822.707    23822.707   -14.207474   -14.207474 
  334000   -8391.0645   -8391.0645   -8477.6747   -8477.6747    335.19073    335.19073    23827.731    23827.731   -1445.5884   -1445.5884 
Loop time of 136.16 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.635 ns/day, 37.822 hours/ns, 7.344 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 135.94     | 135.94     | 135.94     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.036159   | 0.036159   | 0.036159   |   0.0 |  0.03
Output  | 9.0078e-05 | 9.0078e-05 | 9.0078e-05 |   0.0 |  0.00
Modify  | 0.16188    | 0.16188    | 0.16188    |   0.0 |  0.12
Other   |            | 0.02313    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4123.00 ave        4123 max        4123 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239412.0 ave      239412 max      239412 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239412
Ave neighs/atom = 119.70600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.792780381349, Press = -0.0895763454870863
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  334000   -8391.0645   -8391.0645   -8477.6747   -8477.6747    335.19073    335.19073    23827.731    23827.731   -1445.5884   -1445.5884 
  335000   -8387.3112   -8387.3112   -8475.0833   -8475.0833    339.68718    339.68718    23802.143    23802.143    814.42639    814.42639 
Loop time of 132.402 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.653 ns/day, 36.778 hours/ns, 7.553 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 132.19     | 132.19     | 132.19     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034463   | 0.034463   | 0.034463   |   0.0 |  0.03
Output  | 8.2362e-05 | 8.2362e-05 | 8.2362e-05 |   0.0 |  0.00
Modify  | 0.15215    | 0.15215    | 0.15215    |   0.0 |  0.11
Other   |            | 0.02042    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4122.00 ave        4122 max        4122 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239136.0 ave      239136 max      239136 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239136
Ave neighs/atom = 119.56800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.789676605803, Press = -0.129824576716808
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  335000   -8387.3112   -8387.3112   -8475.0833   -8475.0833    339.68718    339.68718    23802.143    23802.143    814.42639    814.42639 
  336000   -8387.2133   -8387.2133   -8471.2576   -8471.2576    325.25999    325.25999    23815.212    23815.212    220.24038    220.24038 
Loop time of 132.599 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.652 ns/day, 36.833 hours/ns, 7.542 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 132.39     | 132.39     | 132.39     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034523   | 0.034523   | 0.034523   |   0.0 |  0.03
Output  | 9.005e-05  | 9.005e-05  | 9.005e-05  |   0.0 |  0.00
Modify  | 0.15251    | 0.15251    | 0.15251    |   0.0 |  0.12
Other   |            | 0.02054    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239566.0 ave      239566 max      239566 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239566
Ave neighs/atom = 119.78300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.781361979029, Press = -0.203274819807128
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  336000   -8387.2133   -8387.2133   -8471.2576   -8471.2576    325.25999    325.25999    23815.212    23815.212    220.24038    220.24038 
  337000    -8390.732    -8390.732   -8474.8179   -8474.8179    325.42085    325.42085     23819.22     23819.22   -537.30959   -537.30959 
Loop time of 131.405 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.658 ns/day, 36.501 hours/ns, 7.610 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.2      | 131.2      | 131.2      |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034143   | 0.034143   | 0.034143   |   0.0 |  0.03
Output  | 9.256e-05  | 9.256e-05  | 9.256e-05  |   0.0 |  0.00
Modify  | 0.15179    | 0.15179    | 0.15179    |   0.0 |  0.12
Other   |            | 0.0206     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4129.00 ave        4129 max        4129 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239530.0 ave      239530 max      239530 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239530
Ave neighs/atom = 119.76500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.779160440359, Press = -0.128788395797095
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  337000    -8390.732    -8390.732   -8474.8179   -8474.8179    325.42085    325.42085     23819.22     23819.22   -537.30959   -537.30959 
  338000   -8387.7333   -8387.7333   -8473.9644   -8473.9644    333.72353    333.72353    23802.064    23802.064    939.44207    939.44207 
Loop time of 133.992 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.645 ns/day, 37.220 hours/ns, 7.463 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 133.77     | 133.77     | 133.77     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035775   | 0.035775   | 0.035775   |   0.0 |  0.03
Output  | 0.00017079 | 0.00017079 | 0.00017079 |   0.0 |  0.00
Modify  | 0.16104    | 0.16104    | 0.16104    |   0.0 |  0.12
Other   |            | 0.02353    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4127.00 ave        4127 max        4127 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239276.0 ave      239276 max      239276 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239276
Ave neighs/atom = 119.63800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.785595738636, Press = -0.16723696445877
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  338000   -8387.7333   -8387.7333   -8473.9644   -8473.9644    333.72353    333.72353    23802.064    23802.064    939.44207    939.44207 
  339000   -8383.3449   -8383.3449   -8472.4519   -8472.4519    344.85351    344.85351    23821.095    23821.095   -117.85677   -117.85677 
Loop time of 147.772 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.585 ns/day, 41.048 hours/ns, 6.767 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 147.52     | 147.52     | 147.52     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03977    | 0.03977    | 0.03977    |   0.0 |  0.03
Output  | 9.2693e-05 | 9.2693e-05 | 9.2693e-05 |   0.0 |  0.00
Modify  | 0.18011    | 0.18011    | 0.18011    |   0.0 |  0.12
Other   |            | 0.02766    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4121.00 ave        4121 max        4121 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239520.0 ave      239520 max      239520 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239520
Ave neighs/atom = 119.76000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.791622775017, Press = -0.406027126049968
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  339000   -8383.3449   -8383.3449   -8472.4519   -8472.4519    344.85351    344.85351    23821.095    23821.095   -117.85677   -117.85677 
  340000   -8386.1361   -8386.1361   -8474.2378   -8474.2378    340.96295    340.96295     23863.63     23863.63   -3299.4641   -3299.4641 
Loop time of 136.871 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.631 ns/day, 38.020 hours/ns, 7.306 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 136.65     | 136.65     | 136.65     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.036355   | 0.036355   | 0.036355   |   0.0 |  0.03
Output  | 8.8747e-05 | 8.8747e-05 | 8.8747e-05 |   0.0 |  0.00
Modify  | 0.16306    | 0.16306    | 0.16306    |   0.0 |  0.12
Other   |            | 0.02362    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4123.00 ave        4123 max        4123 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239196.0 ave      239196 max      239196 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239196
Ave neighs/atom = 119.59800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.796193009084, Press = -0.093695032403591
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  340000   -8386.1361   -8386.1361   -8474.2378   -8474.2378    340.96295    340.96295     23863.63     23863.63   -3299.4641   -3299.4641 
  341000   -8385.9795   -8385.9795    -8474.033    -8474.033    340.77603    340.77603    23783.558    23783.558    2240.4673    2240.4673 
Loop time of 153.586 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.563 ns/day, 42.663 hours/ns, 6.511 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 153.33     | 153.33     | 153.33     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041365   | 0.041365   | 0.041365   |   0.0 |  0.03
Output  | 8.6587e-05 | 8.6587e-05 | 8.6587e-05 |   0.0 |  0.00
Modify  | 0.18579    | 0.18579    | 0.18579    |   0.0 |  0.12
Other   |            | 0.02838    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4130.00 ave        4130 max        4130 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238734.0 ave      238734 max      238734 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238734
Ave neighs/atom = 119.36700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.795265962182, Press = 0.010916908367536
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  341000   -8385.9795   -8385.9795    -8474.033    -8474.033    340.77603    340.77603    23783.558    23783.558    2240.4673    2240.4673 
  342000   -8389.2918   -8389.2918   -8475.2398   -8475.2398    332.62776    332.62776    23805.846    23805.846    326.32375    326.32375 
Loop time of 130.479 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.662 ns/day, 36.244 hours/ns, 7.664 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 130.27     | 130.27     | 130.27     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034155   | 0.034155   | 0.034155   |   0.0 |  0.03
Output  | 9.0388e-05 | 9.0388e-05 | 9.0388e-05 |   0.0 |  0.00
Modify  | 0.15187    | 0.15187    | 0.15187    |   0.0 |  0.12
Other   |            | 0.02092    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4126.00 ave        4126 max        4126 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239986.0 ave      239986 max      239986 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239986
Ave neighs/atom = 119.99300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.801391200712, Press = -0.326722789549229
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  342000   -8389.2918   -8389.2918   -8475.2398   -8475.2398    332.62776    332.62776    23805.846    23805.846    326.32375    326.32375 
  343000   -8384.3734   -8384.3734   -8473.5944   -8473.5944    345.29463    345.29463    23836.838    23836.838   -1303.0551   -1303.0551 
Loop time of 133.818 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.646 ns/day, 37.172 hours/ns, 7.473 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 133.58     | 133.58     | 133.58     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.037164   | 0.037164   | 0.037164   |   0.0 |  0.03
Output  | 0.00012224 | 0.00012224 | 0.00012224 |   0.0 |  0.00
Modify  | 0.16913    | 0.16913    | 0.16913    |   0.0 |  0.13
Other   |            | 0.0291     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4132.00 ave        4132 max        4132 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239432.0 ave      239432 max      239432 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239432
Ave neighs/atom = 119.71600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.81015112703, Press = -0.154248433426865
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  343000   -8384.3734   -8384.3734   -8473.5944   -8473.5944    345.29463    345.29463    23836.838    23836.838   -1303.0551   -1303.0551 
  344000   -8387.1666   -8387.1666   -8473.6843   -8473.6843    334.83236    334.83236    23804.542    23804.542    892.05902    892.05902 
Loop time of 132.501 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.652 ns/day, 36.806 hours/ns, 7.547 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 132.27     | 132.27     | 132.27     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.036275   | 0.036275   | 0.036275   |   0.0 |  0.03
Output  | 9.2578e-05 | 9.2578e-05 | 9.2578e-05 |   0.0 |  0.00
Modify  | 0.16544    | 0.16544    | 0.16544    |   0.0 |  0.12
Other   |            | 0.02738    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4130.00 ave        4130 max        4130 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238884.0 ave      238884 max      238884 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238884
Ave neighs/atom = 119.44200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.81208274606, Press = -0.11849989307632
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  344000   -8387.1666   -8387.1666   -8473.6843   -8473.6843    334.83236    334.83236    23804.542    23804.542    892.05902    892.05902 
  345000   -8388.1696   -8388.1696   -8473.3779   -8473.3779    329.76478    329.76478    23813.124    23813.124     236.0622     236.0622 
Loop time of 129.963 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.665 ns/day, 36.101 hours/ns, 7.695 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 129.75     | 129.75     | 129.75     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034851   | 0.034851   | 0.034851   |   0.0 |  0.03
Output  | 9.409e-05  | 9.409e-05  | 9.409e-05  |   0.0 |  0.00
Modify  | 0.15546    | 0.15546    | 0.15546    |   0.0 |  0.12
Other   |            | 0.02264    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4121.00 ave        4121 max        4121 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239384.0 ave      239384 max      239384 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239384
Ave neighs/atom = 119.69200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.819997121745, Press = -0.340728290672451
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  345000   -8388.1696   -8388.1696   -8473.3779   -8473.3779    329.76478    329.76478    23813.124    23813.124     236.0622     236.0622 
  346000   -8387.1095   -8387.1095   -8472.7404   -8472.7404    331.40076    331.40076    23849.224    23849.224   -2216.6008   -2216.6008 
Loop time of 134.343 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.643 ns/day, 37.318 hours/ns, 7.444 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 134.13     | 134.13     | 134.13     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035335   | 0.035335   | 0.035335   |   0.0 |  0.03
Output  | 8.63e-05   | 8.63e-05   | 8.63e-05   |   0.0 |  0.00
Modify  | 0.15762    | 0.15762    | 0.15762    |   0.0 |  0.12
Other   |            | 0.02209    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4127.00 ave        4127 max        4127 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239318.0 ave      239318 max      239318 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239318
Ave neighs/atom = 119.65900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.824572589383, Press = -0.0737040397000927
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  346000   -8387.1095   -8387.1095   -8472.7404   -8472.7404    331.40076    331.40076    23849.224    23849.224   -2216.6008   -2216.6008 
  347000   -8388.0106   -8388.0106   -8472.9525   -8472.9525    328.73407    328.73407    23763.081    23763.081     3758.285     3758.285 
Loop time of 133.615 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.647 ns/day, 37.115 hours/ns, 7.484 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 133.4      | 133.4      | 133.4      |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035224   | 0.035224   | 0.035224   |   0.0 |  0.03
Output  | 9.4348e-05 | 9.4348e-05 | 9.4348e-05 |   0.0 |  0.00
Modify  | 0.15673    | 0.15673    | 0.15673    |   0.0 |  0.12
Other   |            | 0.02181    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4124.00 ave        4124 max        4124 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238672.0 ave      238672 max      238672 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238672
Ave neighs/atom = 119.33600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.835808215658, Press = -0.0190788413381564
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  347000   -8388.0106   -8388.0106   -8472.9525   -8472.9525    328.73407    328.73407    23763.081    23763.081     3758.285     3758.285 
  348000    -8385.341    -8385.341   -8473.2611   -8473.2611    340.25976    340.25976    23819.985    23819.985   -129.71281   -129.71281 
Loop time of 132.114 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.654 ns/day, 36.698 hours/ns, 7.569 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.9      | 131.9      | 131.9      |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035179   | 0.035179   | 0.035179   |   0.0 |  0.03
Output  | 9.0167e-05 | 9.0167e-05 | 9.0167e-05 |   0.0 |  0.00
Modify  | 0.15832    | 0.15832    | 0.15832    |   0.0 |  0.12
Other   |            | 0.02363    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4122.00 ave        4122 max        4122 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      240302.0 ave      240302 max      240302 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 240302
Ave neighs/atom = 120.15100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.84057609736, Press = -0.406864311355407
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  348000    -8385.341    -8385.341   -8473.2611   -8473.2611    340.25976    340.25976    23819.985    23819.985   -129.71281   -129.71281 
  349000   -8389.0935   -8389.0935   -8475.5015   -8475.5015    334.40798    334.40798    23826.327    23826.327   -1001.2502   -1001.2502 
Loop time of 132.284 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.653 ns/day, 36.746 hours/ns, 7.559 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 132.08     | 132.08     | 132.08     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034494   | 0.034494   | 0.034494   |   0.0 |  0.03
Output  | 8.4202e-05 | 8.4202e-05 | 8.4202e-05 |   0.0 |  0.00
Modify  | 0.15238    | 0.15238    | 0.15238    |   0.0 |  0.12
Other   |            | 0.02053    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4123.00 ave        4123 max        4123 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239242.0 ave      239242 max      239242 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239242
Ave neighs/atom = 119.62100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.842132794814, Press = -0.147139300087023
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  349000   -8389.0935   -8389.0935   -8475.5015   -8475.5015    334.40798    334.40798    23826.327    23826.327   -1001.2502   -1001.2502 
  350000   -8387.6778   -8387.6778   -8473.0673   -8473.0673    330.46592    330.46592    23803.859    23803.859    787.71409    787.71409 
Loop time of 130.449 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.662 ns/day, 36.236 hours/ns, 7.666 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 130.24     | 130.24     | 130.24     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034682   | 0.034682   | 0.034682   |   0.0 |  0.03
Output  | 9.3798e-05 | 9.3798e-05 | 9.3798e-05 |   0.0 |  0.00
Modify  | 0.15522    | 0.15522    | 0.15522    |   0.0 |  0.12
Other   |            | 0.02232    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239146.0 ave      239146 max      239146 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239146
Ave neighs/atom = 119.57300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.85256215819, Press = -0.082162137361533
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  350000   -8387.6778   -8387.6778   -8473.0673   -8473.0673    330.46592    330.46592    23803.859    23803.859    787.71409    787.71409 
  351000   -8388.2706   -8388.2706   -8473.2948   -8473.2948    329.05238    329.05238    23804.146    23804.146     848.5227     848.5227 
Loop time of 131.943 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.655 ns/day, 36.651 hours/ns, 7.579 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.73     | 131.73     | 131.73     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034646   | 0.034646   | 0.034646   |   0.0 |  0.03
Output  | 9.8053e-05 | 9.8053e-05 | 9.8053e-05 |   0.0 |  0.00
Modify  | 0.15407    | 0.15407    | 0.15407    |   0.0 |  0.12
Other   |            | 0.02102    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4129.00 ave        4129 max        4129 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239534.0 ave      239534 max      239534 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239534
Ave neighs/atom = 119.76700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.852004949737, Press = -0.276225105535211
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  351000   -8388.2706   -8388.2706   -8473.2948   -8473.2948    329.05238    329.05238    23804.146    23804.146     848.5227     848.5227 
  352000   -8391.1435   -8391.1435   -8474.7555   -8474.7555     323.5872     323.5872     23851.25     23851.25   -2694.6634   -2694.6634 
Loop time of 131.251 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.658 ns/day, 36.459 hours/ns, 7.619 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.04     | 131.04     | 131.04     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034693   | 0.034693   | 0.034693   |   0.0 |  0.03
Output  | 8.4852e-05 | 8.4852e-05 | 8.4852e-05 |   0.0 |  0.00
Modify  | 0.15548    | 0.15548    | 0.15548    |   0.0 |  0.12
Other   |            | 0.02244    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4120.00 ave        4120 max        4120 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239650.0 ave      239650 max      239650 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239650
Ave neighs/atom = 119.82500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.852196459889, Press = -0.217237260233828
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  352000   -8391.1435   -8391.1435   -8474.7555   -8474.7555     323.5872     323.5872     23851.25     23851.25   -2694.6634   -2694.6634 
  353000   -8386.3668   -8386.3668   -8471.3919   -8471.3919      329.056      329.056     23789.95     23789.95    2113.9616    2113.9616 
Loop time of 130.612 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.661 ns/day, 36.281 hours/ns, 7.656 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 130.4      | 130.4      | 130.4      |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03422    | 0.03422    | 0.03422    |   0.0 |  0.03
Output  | 9.0804e-05 | 9.0804e-05 | 9.0804e-05 |   0.0 |  0.00
Modify  | 0.15276    | 0.15276    | 0.15276    |   0.0 |  0.12
Other   |            | 0.02083    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238752.0 ave      238752 max      238752 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238752
Ave neighs/atom = 119.37600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.843871921366, Press = 0.11498004795736
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  353000   -8386.3668   -8386.3668   -8471.3919   -8471.3919      329.056      329.056     23789.95     23789.95    2113.9616    2113.9616 
  354000   -8388.0979   -8388.0979   -8473.9227   -8473.9227    332.15077    332.15077    23787.461    23787.461    1909.2793    1909.2793 
Loop time of 130.067 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.664 ns/day, 36.130 hours/ns, 7.688 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 129.85     | 129.85     | 129.85     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034828   | 0.034828   | 0.034828   |   0.0 |  0.03
Output  | 9.2956e-05 | 9.2956e-05 | 9.2956e-05 |   0.0 |  0.00
Modify  | 0.15709    | 0.15709    | 0.15709    |   0.0 |  0.12
Other   |            | 0.02354    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4121.00 ave        4121 max        4121 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239908.0 ave      239908 max      239908 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239908
Ave neighs/atom = 119.95400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.844958953516, Press = -0.351007799232656
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  354000   -8388.0979   -8388.0979   -8473.9227   -8473.9227    332.15077    332.15077    23787.461    23787.461    1909.2793    1909.2793 
  355000   -8386.5013   -8386.5013   -8473.1172   -8473.1172     335.2127     335.2127     23846.85     23846.85   -1978.1181   -1978.1181 
Loop time of 131.927 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.655 ns/day, 36.646 hours/ns, 7.580 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.7      | 131.7      | 131.7      |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.036092   | 0.036092   | 0.036092   |   0.0 |  0.03
Output  | 9.9883e-05 | 9.9883e-05 | 9.9883e-05 |   0.0 |  0.00
Modify  | 0.16536    | 0.16536    | 0.16536    |   0.0 |  0.13
Other   |            | 0.02758    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4124.00 ave        4124 max        4124 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239836.0 ave      239836 max      239836 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239836
Ave neighs/atom = 119.91800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.854590587187, Press = -0.223769477186878
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  355000   -8386.5013   -8386.5013   -8473.1172   -8473.1172     335.2127     335.2127     23846.85     23846.85   -1978.1181   -1978.1181 
  356000   -8389.4397   -8389.4397   -8472.9311   -8472.9311    323.12021    323.12021    23796.382    23796.382    1301.3722    1301.3722 
Loop time of 131.613 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.656 ns/day, 36.559 hours/ns, 7.598 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.4      | 131.4      | 131.4      |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035123   | 0.035123   | 0.035123   |   0.0 |  0.03
Output  | 8.7608e-05 | 8.7608e-05 | 8.7608e-05 |   0.0 |  0.00
Modify  | 0.15674    | 0.15674    | 0.15674    |   0.0 |  0.12
Other   |            | 0.02338    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4123.00 ave        4123 max        4123 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238870.0 ave      238870 max      238870 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238870
Ave neighs/atom = 119.43500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.862348889001, Press = 0.00405801197383821
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  356000   -8389.4397   -8389.4397   -8472.9311   -8472.9311    323.12021    323.12021    23796.382    23796.382    1301.3722    1301.3722 
  357000   -8386.2092   -8386.2092   -8472.9471   -8472.9471    335.68483    335.68483    23799.709    23799.709    1286.0184    1286.0184 
Loop time of 133.488 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.647 ns/day, 37.080 hours/ns, 7.491 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 133.27     | 133.27     | 133.27     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035432   | 0.035432   | 0.035432   |   0.0 |  0.03
Output  | 8.6076e-05 | 8.6076e-05 | 8.6076e-05 |   0.0 |  0.00
Modify  | 0.15777    | 0.15777    | 0.15777    |   0.0 |  0.12
Other   |            | 0.02247    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4134.00 ave        4134 max        4134 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239658.0 ave      239658 max      239658 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239658
Ave neighs/atom = 119.82900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.86865123318, Press = -0.315896128865683
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  357000   -8386.2092   -8386.2092   -8472.9471   -8472.9471    335.68483    335.68483    23799.709    23799.709    1286.0184    1286.0184 
  358000   -8386.6156   -8386.6156   -8473.1678   -8473.1678    334.96606    334.96606    23871.025    23871.025   -3578.7142   -3578.7142 
Loop time of 129.063 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.669 ns/day, 35.851 hours/ns, 7.748 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 128.86     | 128.86     | 128.86     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033925   | 0.033925   | 0.033925   |   0.0 |  0.03
Output  | 7.8786e-05 | 7.8786e-05 | 7.8786e-05 |   0.0 |  0.00
Modify  | 0.15167    | 0.15167    | 0.15167    |   0.0 |  0.12
Other   |            | 0.02156    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4130.00 ave        4130 max        4130 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239644.0 ave      239644 max      239644 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239644
Ave neighs/atom = 119.82200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.870047077505, Press = -0.246615625472486
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  358000   -8386.6156   -8386.6156   -8473.1678   -8473.1678    334.96606    334.96606    23871.025    23871.025   -3578.7142   -3578.7142 
  359000   -8388.2283   -8388.2283   -8475.1896   -8475.1896     336.5493     336.5493    23798.174    23798.174    1229.3342    1229.3342 
Loop time of 129.955 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.665 ns/day, 36.098 hours/ns, 7.695 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 129.74     | 129.74     | 129.74     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034935   | 0.034935   | 0.034935   |   0.0 |  0.03
Output  | 9.2717e-05 | 9.2717e-05 | 9.2717e-05 |   0.0 |  0.00
Modify  | 0.15702    | 0.15702    | 0.15702    |   0.0 |  0.12
Other   |            | 0.02357    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4122.00 ave        4122 max        4122 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238530.0 ave      238530 max      238530 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238530
Ave neighs/atom = 119.26500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.880864170666, Press = 0.213994353732454
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  359000   -8388.2283   -8388.2283   -8475.1896   -8475.1896     336.5493     336.5493    23798.174    23798.174    1229.3342    1229.3342 
  360000   -8384.2498   -8384.2498    -8472.584    -8472.584    341.86242    341.86242    23799.254    23799.254    1503.5384    1503.5384 
Loop time of 154.507 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.559 ns/day, 42.919 hours/ns, 6.472 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 154.24     | 154.24     | 154.24     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041957   | 0.041957   | 0.041957   |   0.0 |  0.03
Output  | 9.162e-05  | 9.162e-05  | 9.162e-05  |   0.0 |  0.00
Modify  | 0.19225    | 0.19225    | 0.19225    |   0.0 |  0.12
Other   |            | 0.03156    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4123.00 ave        4123 max        4123 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239508.0 ave      239508 max      239508 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239508
Ave neighs/atom = 119.75400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.886012528224, Press = -0.236022154857535
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  360000   -8384.2498   -8384.2498    -8472.584    -8472.584    341.86242    341.86242    23799.254    23799.254    1503.5384    1503.5384 
  361000   -8389.4744   -8389.4744   -8474.6436   -8474.6436     329.6134     329.6134    23835.868    23835.868   -1443.7499   -1443.7499 
Loop time of 153.853 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.562 ns/day, 42.737 hours/ns, 6.500 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 153.6      | 153.6      | 153.6      |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04113    | 0.04113    | 0.04113    |   0.0 |  0.03
Output  | 0.00016328 | 0.00016328 | 0.00016328 |   0.0 |  0.00
Modify  | 0.18456    | 0.18456    | 0.18456    |   0.0 |  0.12
Other   |            | 0.02735    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4124.00 ave        4124 max        4124 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239694.0 ave      239694 max      239694 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239694
Ave neighs/atom = 119.84700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.891047254945, Press = -0.186329477992439
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  361000   -8389.4744   -8389.4744   -8474.6436   -8474.6436     329.6134     329.6134    23835.868    23835.868   -1443.7499   -1443.7499 
  362000   -8392.3518   -8392.3518    -8475.717    -8475.717    322.63203    322.63203    23801.564    23801.564    610.56574    610.56574 
Loop time of 140.998 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.613 ns/day, 39.166 hours/ns, 7.092 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 140.76     | 140.76     | 140.76     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038559   | 0.038559   | 0.038559   |   0.0 |  0.03
Output  | 8.7921e-05 | 8.7921e-05 | 8.7921e-05 |   0.0 |  0.00
Modify  | 0.17319    | 0.17319    | 0.17319    |   0.0 |  0.12
Other   |            | 0.02771    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4133.00 ave        4133 max        4133 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238980.0 ave      238980 max      238980 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238980
Ave neighs/atom = 119.49000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.889924779522, Press = -0.0385612694044173
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  362000   -8392.3518   -8392.3518    -8475.717    -8475.717    322.63203    322.63203    23801.564    23801.564    610.56574    610.56574 
  363000   -8387.0625   -8387.0625   -8473.9097   -8473.9097    336.10759    336.10759    23793.697    23793.697    1588.1544    1588.1544 
Loop time of 130.645 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.661 ns/day, 36.290 hours/ns, 7.654 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 130.43     | 130.43     | 130.43     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034816   | 0.034816   | 0.034816   |   0.0 |  0.03
Output  | 8.5929e-05 | 8.5929e-05 | 8.5929e-05 |   0.0 |  0.00
Modify  | 0.155      | 0.155      | 0.155      |   0.0 |  0.12
Other   |            | 0.0226     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4126.00 ave        4126 max        4126 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239432.0 ave      239432 max      239432 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239432
Ave neighs/atom = 119.71600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.883436138835, Press = -0.335461850897621
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  363000   -8387.0625   -8387.0625   -8473.9097   -8473.9097    336.10759    336.10759    23793.697    23793.697    1588.1544    1588.1544 
  364000   -8391.9905   -8391.9905    -8475.277    -8475.277    322.32748    322.32748    23883.591    23883.591    -4972.315    -4972.315 
Loop time of 132.663 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.651 ns/day, 36.851 hours/ns, 7.538 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 132.45     | 132.45     | 132.45     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034523   | 0.034523   | 0.034523   |   0.0 |  0.03
Output  | 9.9195e-05 | 9.9195e-05 | 9.9195e-05 |   0.0 |  0.00
Modify  | 0.15407    | 0.15407    | 0.15407    |   0.0 |  0.12
Other   |            | 0.0209     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4126.00 ave        4126 max        4126 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239766.0 ave      239766 max      239766 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239766
Ave neighs/atom = 119.88300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.877060088599, Press = -0.202156943396001
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  364000   -8391.9905   -8391.9905    -8475.277    -8475.277    322.32748    322.32748    23883.591    23883.591    -4972.315    -4972.315 
  365000   -8389.7145   -8389.7145   -8473.9829   -8473.9829    326.12718    326.12718    23795.351    23795.351    1361.8143    1361.8143 
Loop time of 130.79 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.661 ns/day, 36.331 hours/ns, 7.646 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 130.58     | 130.58     | 130.58     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034255   | 0.034255   | 0.034255   |   0.0 |  0.03
Output  | 9.9469e-05 | 9.9469e-05 | 9.9469e-05 |   0.0 |  0.00
Modify  | 0.15377    | 0.15377    | 0.15377    |   0.0 |  0.12
Other   |            | 0.02128    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4120.00 ave        4120 max        4120 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238158.0 ave      238158 max      238158 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238158
Ave neighs/atom = 119.07900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.878933353275, Press = 0.09277668754844
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  365000   -8389.7145   -8389.7145   -8473.9829   -8473.9829    326.12718    326.12718    23795.351    23795.351    1361.8143    1361.8143 
  366000   -8388.0937   -8388.0937   -8473.7966   -8473.7966    331.67905    331.67905    23792.743    23792.743    1676.8004    1676.8004 
Loop time of 129.844 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.665 ns/day, 36.068 hours/ns, 7.702 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 129.63     | 129.63     | 129.63     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034536   | 0.034536   | 0.034536   |   0.0 |  0.03
Output  | 8.8777e-05 | 8.8777e-05 | 8.8777e-05 |   0.0 |  0.00
Modify  | 0.15438    | 0.15438    | 0.15438    |   0.0 |  0.12
Other   |            | 0.02218    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4128.00 ave        4128 max        4128 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239686.0 ave      239686 max      239686 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239686
Ave neighs/atom = 119.84300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.88304181615, Press = -0.241638050632042
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  366000   -8388.0937   -8388.0937   -8473.7966   -8473.7966    331.67905    331.67905    23792.743    23792.743    1676.8004    1676.8004 
  367000   -8387.1573   -8387.1573   -8473.6757   -8473.6757    334.83549    334.83549    23848.428    23848.428   -2210.7226   -2210.7226 
Loop time of 132.057 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.654 ns/day, 36.683 hours/ns, 7.572 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.83     | 131.83     | 131.83     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.036414   | 0.036414   | 0.036414   |   0.0 |  0.03
Output  | 9.4063e-05 | 9.4063e-05 | 9.4063e-05 |   0.0 |  0.00
Modify  | 0.16462    | 0.16462    | 0.16462    |   0.0 |  0.12
Other   |            | 0.02752    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4131.00 ave        4131 max        4131 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239756.0 ave      239756 max      239756 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239756
Ave neighs/atom = 119.87800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.890594183694, Press = -0.187384978881935
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  367000   -8387.1573   -8387.1573   -8473.6757   -8473.6757    334.83549    334.83549    23848.428    23848.428   -2210.7226   -2210.7226 
  368000   -8387.4621   -8387.4621   -8474.2453   -8474.2453     335.8598     335.8598    23808.826    23808.826    521.43155    521.43155 
Loop time of 132.203 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.654 ns/day, 36.723 hours/ns, 7.564 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.98     | 131.98     | 131.98     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03626    | 0.03626    | 0.03626    |   0.0 |  0.03
Output  | 9.2597e-05 | 9.2597e-05 | 9.2597e-05 |   0.0 |  0.00
Modify  | 0.16343    | 0.16343    | 0.16343    |   0.0 |  0.12
Other   |            | 0.02602    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4126.00 ave        4126 max        4126 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238856.0 ave      238856 max      238856 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238856
Ave neighs/atom = 119.42800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.891318906621, Press = 0.0351143717109776
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  368000   -8387.4621   -8387.4621   -8474.2453   -8474.2453     335.8598     335.8598    23808.826    23808.826    521.43155    521.43155 
  369000   -8386.2613   -8386.2613   -8470.6319   -8470.6319    326.52277    326.52277    23789.588    23789.588    2324.7935    2324.7935 
Loop time of 137.962 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.626 ns/day, 38.323 hours/ns, 7.248 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 137.72     | 137.72     | 137.72     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.037816   | 0.037816   | 0.037816   |   0.0 |  0.03
Output  | 8.5332e-05 | 8.5332e-05 | 8.5332e-05 |   0.0 |  0.00
Modify  | 0.1722     | 0.1722     | 0.1722     |   0.0 |  0.12
Other   |            | 0.02876    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4123.00 ave        4123 max        4123 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239388.0 ave      239388 max      239388 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239388
Ave neighs/atom = 119.69400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.890829291811, Press = -0.266274183756735
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  369000   -8386.2613   -8386.2613   -8470.6319   -8470.6319    326.52277    326.52277    23789.588    23789.588    2324.7935    2324.7935 
  370000   -8391.5212   -8391.5212   -8476.2984   -8476.2984    328.09638    328.09638    23848.976    23848.976   -2675.3997   -2675.3997 
Loop time of 132.428 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.652 ns/day, 36.785 hours/ns, 7.551 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 132.22     | 132.22     | 132.22     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034393   | 0.034393   | 0.034393   |   0.0 |  0.03
Output  | 8.8984e-05 | 8.8984e-05 | 8.8984e-05 |   0.0 |  0.00
Modify  | 0.15233    | 0.15233    | 0.15233    |   0.0 |  0.12
Other   |            | 0.02042    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4126.00 ave        4126 max        4126 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239880.0 ave      239880 max      239880 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239880
Ave neighs/atom = 119.94000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.881560071483, Press = -0.242630671975872
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  370000   -8391.5212   -8391.5212   -8476.2984   -8476.2984    328.09638    328.09638    23848.976    23848.976   -2675.3997   -2675.3997 
  371000     -8387.02     -8387.02   -8473.4695   -8473.4695    334.56841    334.56841    23816.415    23816.415   0.75712307   0.75712307 
Loop time of 131.984 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.655 ns/day, 36.662 hours/ns, 7.577 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.76     | 131.76     | 131.76     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035841   | 0.035841   | 0.035841   |   0.0 |  0.03
Output  | 9.3067e-05 | 9.3067e-05 | 9.3067e-05 |   0.0 |  0.00
Modify  | 0.16202    | 0.16202    | 0.16202    |   0.0 |  0.12
Other   |            | 0.02542    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4127.00 ave        4127 max        4127 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238862.0 ave      238862 max      238862 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238862
Ave neighs/atom = 119.43100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.880404496782, Press = 0.0718922419607623
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  371000     -8387.02     -8387.02   -8473.4695   -8473.4695    334.56841    334.56841    23816.415    23816.415   0.75712307   0.75712307 
  372000   -8389.7882   -8389.7882   -8473.9918   -8473.9918     325.8768     325.8768    23787.686    23787.686    1884.8509    1884.8509 
Loop time of 161.811 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.534 ns/day, 44.948 hours/ns, 6.180 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 161.53     | 161.53     | 161.53     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.044015   | 0.044015   | 0.044015   |   0.0 |  0.03
Output  | 9.2156e-05 | 9.2156e-05 | 9.2156e-05 |   0.0 |  0.00
Modify  | 0.20075    | 0.20075    | 0.20075    |   0.0 |  0.12
Other   |            | 0.03272    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4124.00 ave        4124 max        4124 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239186.0 ave      239186 max      239186 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239186
Ave neighs/atom = 119.59300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.875957300155, Press = -0.222551412465866
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  372000   -8389.7882   -8389.7882   -8473.9918   -8473.9918     325.8768     325.8768    23787.686    23787.686    1884.8509    1884.8509 
  373000   -8387.8646   -8387.8646   -8472.9957   -8472.9957    329.46603    329.46603    23840.963    23840.963   -1630.2716   -1630.2716 
Loop time of 143.547 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.602 ns/day, 39.874 hours/ns, 6.966 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 143.31     | 143.31     | 143.31     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.037993   | 0.037993   | 0.037993   |   0.0 |  0.03
Output  | 9.3572e-05 | 9.3572e-05 | 9.3572e-05 |   0.0 |  0.00
Modify  | 0.1711     | 0.1711     | 0.1711     |   0.0 |  0.12
Other   |            | 0.02523    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4128.00 ave        4128 max        4128 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239948.0 ave      239948 max      239948 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239948
Ave neighs/atom = 119.97400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.872890357097, Press = -0.201866717879243
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  373000   -8387.8646   -8387.8646   -8472.9957   -8472.9957    329.46603    329.46603    23840.963    23840.963   -1630.2716   -1630.2716 
  374000   -8388.1288   -8388.1288   -8474.0026   -8474.0026    332.34067    332.34067    23817.542    23817.542   -173.24004   -173.24004 
Loop time of 130.212 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.664 ns/day, 36.170 hours/ns, 7.680 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 130        | 130        | 130        |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034759   | 0.034759   | 0.034759   |   0.0 |  0.03
Output  | 8.4987e-05 | 8.4987e-05 | 8.4987e-05 |   0.0 |  0.00
Modify  | 0.15507    | 0.15507    | 0.15507    |   0.0 |  0.12
Other   |            | 0.02218    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4132.00 ave        4132 max        4132 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238928.0 ave      238928 max      238928 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238928
Ave neighs/atom = 119.46400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.876452711541, Press = 0.0225683275636433
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  374000   -8388.1288   -8388.1288   -8474.0026   -8474.0026    332.34067    332.34067    23817.542    23817.542   -173.24004   -173.24004 
  375000   -8388.9949   -8388.9949   -8474.1833   -8474.1833    329.68767    329.68767    23770.758    23770.758    2981.6074    2981.6074 
Loop time of 140.6 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.615 ns/day, 39.056 hours/ns, 7.112 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 140.36     | 140.36     | 140.36     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038665   | 0.038665   | 0.038665   |   0.0 |  0.03
Output  | 0.00015671 | 0.00015671 | 0.00015671 |   0.0 |  0.00
Modify  | 0.176      | 0.176      | 0.176      |   0.0 |  0.13
Other   |            | 0.02959    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4129.00 ave        4129 max        4129 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239358.0 ave      239358 max      239358 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239358
Ave neighs/atom = 119.67900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.872568009504, Press = -0.221770641634545
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  375000   -8388.9949   -8388.9949   -8474.1833   -8474.1833    329.68767    329.68767    23770.758    23770.758    2981.6074    2981.6074 
  376000   -8385.1538   -8385.1538    -8472.865    -8472.865    339.45162    339.45162    23864.734    23864.734   -3282.5932   -3282.5932 
Loop time of 142.311 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.607 ns/day, 39.531 hours/ns, 7.027 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 142.06     | 142.06     | 142.06     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039184   | 0.039184   | 0.039184   |   0.0 |  0.03
Output  | 9.4953e-05 | 9.4953e-05 | 9.4953e-05 |   0.0 |  0.00
Modify  | 0.17811    | 0.17811    | 0.17811    |   0.0 |  0.13
Other   |            | 0.0298     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4126.00 ave        4126 max        4126 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      240218.0 ave      240218 max      240218 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 240218
Ave neighs/atom = 120.10900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.875557381, Press = -0.35508614409046
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  376000   -8385.1538   -8385.1538    -8472.865    -8472.865    339.45162    339.45162    23864.734    23864.734   -3282.5932   -3282.5932 
  377000   -8389.9515   -8389.9515    -8473.264    -8473.264    322.42776    322.42776    23817.472    23817.472   -252.98426   -252.98426 
Loop time of 158.425 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.545 ns/day, 44.007 hours/ns, 6.312 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 158.15     | 158.15     | 158.15     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04339    | 0.04339    | 0.04339    |   0.0 |  0.03
Output  | 9.5153e-05 | 9.5153e-05 | 9.5153e-05 |   0.0 |  0.00
Modify  | 0.19739    | 0.19739    | 0.19739    |   0.0 |  0.12
Other   |            | 0.03382    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4136.00 ave        4136 max        4136 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238654.0 ave      238654 max      238654 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238654
Ave neighs/atom = 119.32700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.876692749624, Press = 0.0425992541434099
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  377000   -8389.9515   -8389.9515    -8473.264    -8473.264    322.42776    322.42776    23817.472    23817.472   -252.98426   -252.98426 
  378000   -8386.3291   -8386.3291   -8471.3531   -8471.3531     329.0513     329.0513    23800.389    23800.389    1314.5768    1314.5768 
Loop time of 132.278 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.653 ns/day, 36.744 hours/ns, 7.560 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 132.05     | 132.05     | 132.05     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.036489   | 0.036489   | 0.036489   |   0.0 |  0.03
Output  | 9.1373e-05 | 9.1373e-05 | 9.1373e-05 |   0.0 |  0.00
Modify  | 0.16408    | 0.16408    | 0.16408    |   0.0 |  0.12
Other   |            | 0.02825    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4122.00 ave        4122 max        4122 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239466.0 ave      239466 max      239466 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239466
Ave neighs/atom = 119.73300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.873858431631, Press = -0.118526397360315
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  378000   -8386.3291   -8386.3291   -8471.3531   -8471.3531     329.0513     329.0513    23800.389    23800.389    1314.5768    1314.5768 
  379000   -8389.8323   -8389.8323   -8475.2319   -8475.2319    330.50544    330.50544    23815.816    23815.816   -328.65072   -328.65072 
Loop time of 136.25 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.634 ns/day, 37.847 hours/ns, 7.339 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 136.02     | 136.02     | 136.02     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.036554   | 0.036554   | 0.036554   |   0.0 |  0.03
Output  | 8.6573e-05 | 8.6573e-05 | 8.6573e-05 |   0.0 |  0.00
Modify  | 0.16619    | 0.16619    | 0.16619    |   0.0 |  0.12
Other   |            | 0.02577    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4133.00 ave        4133 max        4133 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239780.0 ave      239780 max      239780 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239780
Ave neighs/atom = 119.89000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.866958505917, Press = -0.172728982271866
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  379000   -8389.8323   -8389.8323   -8475.2319   -8475.2319    330.50544    330.50544    23815.816    23815.816   -328.65072   -328.65072 
  380000   -8389.1865   -8389.1865   -8474.7697   -8474.7697    331.21566    331.21566    23823.713    23823.713   -703.67506   -703.67506 
Loop time of 129.499 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.667 ns/day, 35.972 hours/ns, 7.722 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 129.29     | 129.29     | 129.29     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034367   | 0.034367   | 0.034367   |   0.0 |  0.03
Output  | 8.9965e-05 | 8.9965e-05 | 8.9965e-05 |   0.0 |  0.00
Modify  | 0.15292    | 0.15292    | 0.15292    |   0.0 |  0.12
Other   |            | 0.02163    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4130.00 ave        4130 max        4130 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239306.0 ave      239306 max      239306 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239306
Ave neighs/atom = 119.65300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.864285977334, Press = -0.0644866512178027
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  380000   -8389.1865   -8389.1865   -8474.7697   -8474.7697    331.21566    331.21566    23823.713    23823.713   -703.67506   -703.67506 
  381000   -8387.9689   -8387.9689   -8472.5882   -8472.5882    327.48525    327.48525    23785.932    23785.932    2266.0455    2266.0455 
Loop time of 144.53 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.598 ns/day, 40.147 hours/ns, 6.919 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 144.29     | 144.29     | 144.29     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039061   | 0.039061   | 0.039061   |   0.0 |  0.03
Output  | 8.7422e-05 | 8.7422e-05 | 8.7422e-05 |   0.0 |  0.00
Modify  | 0.17627    | 0.17627    | 0.17627    |   0.0 |  0.12
Other   |            | 0.02792    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4127.00 ave        4127 max        4127 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239370.0 ave      239370 max      239370 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239370
Ave neighs/atom = 119.68500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.857350970005, Press = -0.0933203588859503
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  381000   -8387.9689   -8387.9689   -8472.5882   -8472.5882    327.48525    327.48525    23785.932    23785.932    2266.0455    2266.0455 
  382000   -8387.4042   -8387.4042   -8473.6489   -8473.6489    333.77607    333.77607    23829.531    23829.531   -954.46024   -954.46024 
Loop time of 131.054 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.659 ns/day, 36.404 hours/ns, 7.630 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 130.85     | 130.85     | 130.85     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034229   | 0.034229   | 0.034229   |   0.0 |  0.03
Output  | 8.5553e-05 | 8.5553e-05 | 8.5553e-05 |   0.0 |  0.00
Modify  | 0.15263    | 0.15263    | 0.15263    |   0.0 |  0.12
Other   |            | 0.0211     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239896.0 ave      239896 max      239896 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239896
Ave neighs/atom = 119.94800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.860195050317, Press = -0.293550067810626
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  382000   -8387.4042   -8387.4042   -8473.6489   -8473.6489    333.77607    333.77607    23829.531    23829.531   -954.46024   -954.46024 
  383000   -8386.6553   -8386.6553   -8474.9245   -8474.9245    341.61101    341.61101    23845.343    23845.343   -2183.3513   -2183.3513 
Loop time of 131.113 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.659 ns/day, 36.420 hours/ns, 7.627 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 130.9      | 130.9      | 130.9      |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034298   | 0.034298   | 0.034298   |   0.0 |  0.03
Output  | 9.3697e-05 | 9.3697e-05 | 9.3697e-05 |   0.0 |  0.00
Modify  | 0.15355    | 0.15355    | 0.15355    |   0.0 |  0.12
Other   |            | 0.02156    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4127.00 ave        4127 max        4127 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239220.0 ave      239220 max      239220 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239220
Ave neighs/atom = 119.61000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.858884962503, Press = -0.043520648773175
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  383000   -8386.6553   -8386.6553   -8474.9245   -8474.9245    341.61101    341.61101    23845.343    23845.343   -2183.3513   -2183.3513 
  384000   -8389.5139   -8389.5139   -8473.2674   -8473.2674    324.13471    324.13471    23771.241    23771.241    2926.6411    2926.6411 
Loop time of 142.027 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.608 ns/day, 39.452 hours/ns, 7.041 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 141.78     | 141.78     | 141.78     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039598   | 0.039598   | 0.039598   |   0.0 |  0.03
Output  | 0.00011224 | 0.00011224 | 0.00011224 |   0.0 |  0.00
Modify  | 0.1784     | 0.1784     | 0.1784     |   0.0 |  0.13
Other   |            | 0.02949    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4121.00 ave        4121 max        4121 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238882.0 ave      238882 max      238882 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238882
Ave neighs/atom = 119.44100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.862945230524, Press = -0.0279966618051398
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  384000   -8389.5139   -8389.5139   -8473.2674   -8473.2674    324.13471    324.13471    23771.241    23771.241    2926.6411    2926.6411 
  385000   -8384.2624   -8384.2624   -8471.0524   -8471.0524    335.88608    335.88608    23823.588    23823.588   -183.55137   -183.55137 
Loop time of 137.728 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.627 ns/day, 38.258 hours/ns, 7.261 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 137.5      | 137.5      | 137.5      |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.036768   | 0.036768   | 0.036768   |   0.0 |  0.03
Output  | 9.1743e-05 | 9.1743e-05 | 9.1743e-05 |   0.0 |  0.00
Modify  | 0.16635    | 0.16635    | 0.16635    |   0.0 |  0.12
Other   |            | 0.02468    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4133.00 ave        4133 max        4133 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      240150.0 ave      240150 max      240150 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 240150
Ave neighs/atom = 120.07500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.865191757732, Press = -0.397884960959432
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  385000   -8384.2624   -8384.2624   -8471.0524   -8471.0524    335.88608    335.88608    23823.588    23823.588   -183.55137   -183.55137 
  386000      -8388.3      -8388.3   -8472.8015   -8472.8015    327.02945    327.02945    23841.852    23841.852   -1755.5991   -1755.5991 
Loop time of 171.665 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.503 ns/day, 47.685 hours/ns, 5.825 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 171.37     | 171.37     | 171.37     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04627    | 0.04627    | 0.04627    |   0.0 |  0.03
Output  | 0.00015175 | 0.00015175 | 0.00015175 |   0.0 |  0.00
Modify  | 0.21062    | 0.21062    | 0.21062    |   0.0 |  0.12
Other   |            | 0.0333     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4127.00 ave        4127 max        4127 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239308.0 ave      239308 max      239308 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239308
Ave neighs/atom = 119.65400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.866295101693, Press = -0.0222480794097355
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  386000      -8388.3      -8388.3   -8472.8015   -8472.8015    327.02945    327.02945    23841.852    23841.852   -1755.5991   -1755.5991 
  387000   -8391.4305   -8391.4305   -8474.5821   -8474.5821    321.80528    321.80528    23788.128    23788.128    1527.1919    1527.1919 
Loop time of 144.7 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.597 ns/day, 40.194 hours/ns, 6.911 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 144.45     | 144.45     | 144.45     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039521   | 0.039521   | 0.039521   |   0.0 |  0.03
Output  | 9.3594e-05 | 9.3594e-05 | 9.3594e-05 |   0.0 |  0.00
Modify  | 0.18075    | 0.18075    | 0.18075    |   0.0 |  0.12
Other   |            | 0.02973    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4120.00 ave        4120 max        4120 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238790.0 ave      238790 max      238790 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238790
Ave neighs/atom = 119.39500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.863663030596, Press = -0.0930850599480067
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  387000   -8391.4305   -8391.4305   -8474.5821   -8474.5821    321.80528    321.80528    23788.128    23788.128    1527.1919    1527.1919 
  388000   -8387.0505   -8387.0505   -8472.5721   -8472.5721    330.97755    330.97755    23821.114    23821.114   -216.35271   -216.35271 
Loop time of 144.239 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.599 ns/day, 40.066 hours/ns, 6.933 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 143.99     | 143.99     | 143.99     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039425   | 0.039425   | 0.039425   |   0.0 |  0.03
Output  | 7.8604e-05 | 7.8604e-05 | 7.8604e-05 |   0.0 |  0.00
Modify  | 0.17934    | 0.17934    | 0.17934    |   0.0 |  0.12
Other   |            | 0.02929    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4127.00 ave        4127 max        4127 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239968.0 ave      239968 max      239968 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239968
Ave neighs/atom = 119.98400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.856342787185, Press = -0.236341700085009
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  388000   -8387.0505   -8387.0505   -8472.5721   -8472.5721    330.97755    330.97755    23821.114    23821.114   -216.35271   -216.35271 
  389000   -8390.3843   -8390.3843   -8476.2428   -8476.2428    332.28108    332.28108    23831.299    23831.299   -1520.1249   -1520.1249 
Loop time of 163.509 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.528 ns/day, 45.419 hours/ns, 6.116 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 163.23     | 163.23     | 163.23     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.045105   | 0.045105   | 0.045105   |   0.0 |  0.03
Output  | 9.2301e-05 | 9.2301e-05 | 9.2301e-05 |   0.0 |  0.00
Modify  | 0.20429    | 0.20429    | 0.20429    |   0.0 |  0.12
Other   |            | 0.03325    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4122.00 ave        4122 max        4122 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239224.0 ave      239224 max      239224 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239224
Ave neighs/atom = 119.61200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.852693878359, Press = -0.122246706474186
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  389000   -8390.3843   -8390.3843   -8476.2428   -8476.2428    332.28108    332.28108    23831.299    23831.299   -1520.1249   -1520.1249 
  390000   -8388.1701   -8388.1701   -8475.7224   -8475.7224    338.83679    338.83679    23781.767    23781.767    2143.8428    2143.8428 
Loop time of 144.107 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.600 ns/day, 40.030 hours/ns, 6.939 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 143.86     | 143.86     | 143.86     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039704   | 0.039704   | 0.039704   |   0.0 |  0.03
Output  | 9.1438e-05 | 9.1438e-05 | 9.1438e-05 |   0.0 |  0.00
Modify  | 0.1805     | 0.1805     | 0.1805     |   0.0 |  0.13
Other   |            | 0.02926    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239114.0 ave      239114 max      239114 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239114
Ave neighs/atom = 119.55700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.859833273654, Press = 0.0773571268799618
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  390000   -8388.1701   -8388.1701   -8475.7224   -8475.7224    338.83679    338.83679    23781.767    23781.767    2143.8428    2143.8428 
  391000   -8383.0756   -8383.0756    -8473.966    -8473.966    351.75524    351.75524    23801.926    23801.926     1187.625     1187.625 
Loop time of 141.538 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.610 ns/day, 39.316 hours/ns, 7.065 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 141.29     | 141.29     | 141.29     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039111   | 0.039111   | 0.039111   |   0.0 |  0.03
Output  | 9.2361e-05 | 9.2361e-05 | 9.2361e-05 |   0.0 |  0.00
Modify  | 0.17758    | 0.17758    | 0.17758    |   0.0 |  0.13
Other   |            | 0.02913    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4121.00 ave        4121 max        4121 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239790.0 ave      239790 max      239790 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239790
Ave neighs/atom = 119.89500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.864019048015, Press = -0.428798097154532
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  391000   -8383.0756   -8383.0756    -8473.966    -8473.966    351.75524    351.75524    23801.926    23801.926     1187.625     1187.625 
  392000   -8390.1938   -8390.1938    -8472.917    -8472.917    320.14766    320.14766    23844.107    23844.107    -2055.151    -2055.151 
Loop time of 132.345 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.653 ns/day, 36.763 hours/ns, 7.556 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 132.13     | 132.13     | 132.13     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03507    | 0.03507    | 0.03507    |   0.0 |  0.03
Output  | 9.5977e-05 | 9.5977e-05 | 9.5977e-05 |   0.0 |  0.00
Modify  | 0.15852    | 0.15852    | 0.15852    |   0.0 |  0.12
Other   |            | 0.02337    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4121.00 ave        4121 max        4121 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239412.0 ave      239412 max      239412 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239412
Ave neighs/atom = 119.70600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.871683640458, Press = -0.101474997246571
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  392000   -8390.1938   -8390.1938    -8472.917    -8472.917    320.14766    320.14766    23844.107    23844.107    -2055.151    -2055.151 
  393000   -8385.6366   -8385.6366   -8471.6996   -8471.6996    333.07271    333.07271    23803.615    23803.615    1253.9518    1253.9518 
Loop time of 135.29 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.639 ns/day, 37.580 hours/ns, 7.392 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 135.06     | 135.06     | 135.06     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.036543   | 0.036543   | 0.036543   |   0.0 |  0.03
Output  | 8.7217e-05 | 8.7217e-05 | 8.7217e-05 |   0.0 |  0.00
Modify  | 0.16535    | 0.16535    | 0.16535    |   0.0 |  0.12
Other   |            | 0.02565    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4124.00 ave        4124 max        4124 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239008.0 ave      239008 max      239008 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239008
Ave neighs/atom = 119.50400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.878512107891, Press = 0.00796562858941014
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  393000   -8385.6366   -8385.6366   -8471.6996   -8471.6996    333.07271    333.07271    23803.615    23803.615    1253.9518    1253.9518 
  394000   -8389.4132   -8389.4132   -8473.4571   -8473.4571     325.2584     325.2584    23797.022    23797.022    1221.1449    1221.1449 
Loop time of 132.209 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.654 ns/day, 36.725 hours/ns, 7.564 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 132        | 132        | 132        |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034893   | 0.034893   | 0.034893   |   0.0 |  0.03
Output  | 9.9079e-05 | 9.9079e-05 | 9.9079e-05 |   0.0 |  0.00
Modify  | 0.15397    | 0.15397    | 0.15397    |   0.0 |  0.12
Other   |            | 0.02175    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4130.00 ave        4130 max        4130 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239508.0 ave      239508 max      239508 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239508
Ave neighs/atom = 119.75400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.879792096226, Press = -0.245584333945462
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  394000   -8389.4132   -8389.4132   -8473.4571   -8473.4571     325.2584     325.2584    23797.022    23797.022    1221.1449    1221.1449 
  395000   -8388.2095   -8388.2095   -8473.0581   -8473.0581    328.37274    328.37274    23849.952    23849.952   -2300.6125   -2300.6125 
Loop time of 162.342 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.532 ns/day, 45.095 hours/ns, 6.160 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 162.07     | 162.07     | 162.07     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.043754   | 0.043754   | 0.043754   |   0.0 |  0.03
Output  | 8.591e-05  | 8.591e-05  | 8.591e-05  |   0.0 |  0.00
Modify  | 0.19819    | 0.19819    | 0.19819    |   0.0 |  0.12
Other   |            | 0.03116    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4124.00 ave        4124 max        4124 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239482.0 ave      239482 max      239482 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239482
Ave neighs/atom = 119.74100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.881736083137, Press = -0.145549977045741
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  395000   -8388.2095   -8388.2095   -8473.0581   -8473.0581    328.37274    328.37274    23849.952    23849.952   -2300.6125   -2300.6125 
  396000    -8386.673    -8386.673   -8472.1532   -8472.1532    330.81721    330.81721    23782.331    23782.331     2574.704     2574.704 
Loop time of 129.026 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.670 ns/day, 35.840 hours/ns, 7.750 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 128.82     | 128.82     | 128.82     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033945   | 0.033945   | 0.033945   |   0.0 |  0.03
Output  | 8.4199e-05 | 8.4199e-05 | 8.4199e-05 |   0.0 |  0.00
Modify  | 0.15282    | 0.15282    | 0.15282    |   0.0 |  0.12
Other   |            | 0.02156    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4121.00 ave        4121 max        4121 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238742.0 ave      238742 max      238742 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238742
Ave neighs/atom = 119.37100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.881193638573, Press = 0.265773262033338
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  396000    -8386.673    -8386.673   -8472.1532   -8472.1532    330.81721    330.81721    23782.331    23782.331     2574.704     2574.704 
  397000   -8386.3555   -8386.3555   -8472.8665   -8472.8665    334.80634    334.80634    23785.558    23785.558    2290.2778    2290.2778 
Loop time of 138.713 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.623 ns/day, 38.531 hours/ns, 7.209 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 138.49     | 138.49     | 138.49     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.036516   | 0.036516   | 0.036516   |   0.0 |  0.03
Output  | 8.5527e-05 | 8.5527e-05 | 8.5527e-05 |   0.0 |  0.00
Modify  | 0.16331    | 0.16331    | 0.16331    |   0.0 |  0.12
Other   |            | 0.02292    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4131.00 ave        4131 max        4131 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239768.0 ave      239768 max      239768 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239768
Ave neighs/atom = 119.88400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.883930686834, Press = -0.328879739387783
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  397000   -8386.3555   -8386.3555   -8472.8665   -8472.8665    334.80634    334.80634    23785.558    23785.558    2290.2778    2290.2778 
  398000   -8388.5637   -8388.5637   -8474.7784   -8474.7784    333.65996    333.65996    23849.471    23849.471   -2427.6379   -2427.6379 
Loop time of 128.961 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.670 ns/day, 35.823 hours/ns, 7.754 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 128.75     | 128.75     | 128.75     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033817   | 0.033817   | 0.033817   |   0.0 |  0.03
Output  | 8.8145e-05 | 8.8145e-05 | 8.8145e-05 |   0.0 |  0.00
Modify  | 0.15179    | 0.15179    | 0.15179    |   0.0 |  0.12
Other   |            | 0.02138    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4126.00 ave        4126 max        4126 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239902.0 ave      239902 max      239902 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239902
Ave neighs/atom = 119.95100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.882063713049, Press = -0.119865475643104
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  398000   -8388.5637   -8388.5637   -8474.7784   -8474.7784    333.65996    333.65996    23849.471    23849.471   -2427.6379   -2427.6379 
  399000   -8388.7132   -8388.7132   -8473.7398   -8473.7398    329.06171    329.06171    23803.336    23803.336    908.14955    908.14955 
Loop time of 131.212 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.658 ns/day, 36.448 hours/ns, 7.621 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131        | 131        | 131        |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03506    | 0.03506    | 0.03506    |   0.0 |  0.03
Output  | 9.3687e-05 | 9.3687e-05 | 9.3687e-05 |   0.0 |  0.00
Modify  | 0.15718    | 0.15718    | 0.15718    |   0.0 |  0.12
Other   |            | 0.0229     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4122.00 ave        4122 max        4122 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238834.0 ave      238834 max      238834 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238834
Ave neighs/atom = 119.41700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.882377834452, Press = 0.0480861623752367
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  399000   -8388.7132   -8388.7132   -8473.7398   -8473.7398    329.06171    329.06171    23803.336    23803.336    908.14955    908.14955 
  400000   -8388.4822   -8388.4822   -8473.0981   -8473.0981    327.47202    327.47202    23790.758    23790.758    1838.8262    1838.8262 
Loop time of 134.935 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.640 ns/day, 37.482 hours/ns, 7.411 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 134.71     | 134.71     | 134.71     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035953   | 0.035953   | 0.035953   |   0.0 |  0.03
Output  | 8.3557e-05 | 8.3557e-05 | 8.3557e-05 |   0.0 |  0.00
Modify  | 0.16137    | 0.16137    | 0.16137    |   0.0 |  0.12
Other   |            | 0.02401    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4126.00 ave        4126 max        4126 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239536.0 ave      239536 max      239536 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239536
Ave neighs/atom = 119.76800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.874212311192, Press = -0.194048259995165
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  400000   -8388.4822   -8388.4822   -8473.0981   -8473.0981    327.47202    327.47202    23790.758    23790.758    1838.8262    1838.8262 
  401000   -8390.6777   -8390.6777   -8475.2184   -8475.2184    327.18113    327.18113    23839.265    23839.265   -1891.4443   -1891.4443 
Loop time of 133.467 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.647 ns/day, 37.074 hours/ns, 7.493 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 133.24     | 133.24     | 133.24     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.036649   | 0.036649   | 0.036649   |   0.0 |  0.03
Output  | 8.5794e-05 | 8.5794e-05 | 8.5794e-05 |   0.0 |  0.00
Modify  | 0.16591    | 0.16591    | 0.16591    |   0.0 |  0.12
Other   |            | 0.02672    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4133.00 ave        4133 max        4133 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239820.0 ave      239820 max      239820 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239820
Ave neighs/atom = 119.91000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.873208493317, Press = -0.171247271356956
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  401000   -8390.6777   -8390.6777   -8475.2184   -8475.2184    327.18113    327.18113    23839.265    23839.265   -1891.4443   -1891.4443 
  402000    -8385.601    -8385.601   -8475.4533   -8475.4533    347.73753    347.73753    23825.365    23825.365   -757.09816   -757.09816 
Loop time of 139.258 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.620 ns/day, 38.683 hours/ns, 7.181 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 139.03     | 139.03     | 139.03     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.037448   | 0.037448   | 0.037448   |   0.0 |  0.03
Output  | 9.1663e-05 | 9.1663e-05 | 9.1663e-05 |   0.0 |  0.00
Modify  | 0.16816    | 0.16816    | 0.16816    |   0.0 |  0.12
Other   |            | 0.02531    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4121.00 ave        4121 max        4121 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238802.0 ave      238802 max      238802 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238802
Ave neighs/atom = 119.40100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.865228632828, Press = 0.0154419141830575
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  402000    -8385.601    -8385.601   -8475.4533   -8475.4533    347.73753    347.73753    23825.365    23825.365   -757.09816   -757.09816 
  403000   -8388.5533   -8388.5533   -8473.6662   -8473.6662    329.39562    329.39562    23784.308    23784.308    2333.0213    2333.0213 
Loop time of 136.219 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.634 ns/day, 37.839 hours/ns, 7.341 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 135.98     | 135.98     | 135.98     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.037465   | 0.037465   | 0.037465   |   0.0 |  0.03
Output  | 9.3709e-05 | 9.3709e-05 | 9.3709e-05 |   0.0 |  0.00
Modify  | 0.16884    | 0.16884    | 0.16884    |   0.0 |  0.12
Other   |            | 0.02896    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239308.0 ave      239308 max      239308 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239308
Ave neighs/atom = 119.65400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.867311879682, Press = -0.0780186699803961
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  403000   -8388.5533   -8388.5533   -8473.6662   -8473.6662    329.39562    329.39562    23784.308    23784.308    2333.0213    2333.0213 
  404000    -8386.358    -8386.358   -8473.1688   -8473.1688    335.96654    335.96654    23841.992    23841.992   -1650.8493   -1650.8493 
Loop time of 131.642 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.656 ns/day, 36.567 hours/ns, 7.596 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.43     | 131.43     | 131.43     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034737   | 0.034737   | 0.034737   |   0.0 |  0.03
Output  | 8.6799e-05 | 8.6799e-05 | 8.6799e-05 |   0.0 |  0.00
Modify  | 0.15546    | 0.15546    | 0.15546    |   0.0 |  0.12
Other   |            | 0.0222     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4122.00 ave        4122 max        4122 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239808.0 ave      239808 max      239808 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239808
Ave neighs/atom = 119.90400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.874423371583, Press = -0.31943546571009
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  404000    -8386.358    -8386.358   -8473.1688   -8473.1688    335.96654    335.96654    23841.992    23841.992   -1650.8493   -1650.8493 
  405000   -8390.3476   -8390.3476   -8475.0079   -8475.0079    327.64397    327.64397    23846.907    23846.907   -2345.0886   -2345.0886 
Loop time of 138.764 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.623 ns/day, 38.545 hours/ns, 7.207 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 138.53     | 138.53     | 138.53     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.037649   | 0.037649   | 0.037649   |   0.0 |  0.03
Output  | 8.6526e-05 | 8.6526e-05 | 8.6526e-05 |   0.0 |  0.00
Modify  | 0.1711     | 0.1711     | 0.1711     |   0.0 |  0.12
Other   |            | 0.02675    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4132.00 ave        4132 max        4132 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238950.0 ave      238950 max      238950 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238950
Ave neighs/atom = 119.47500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.877892033388, Press = 0.123621587165596
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  405000   -8390.3476   -8390.3476   -8475.0079   -8475.0079    327.64397    327.64397    23846.907    23846.907   -2345.0886   -2345.0886 
  406000   -8385.0204   -8385.0204   -8471.8748   -8471.8748    336.13552    336.13552    23790.512    23790.512    2177.3138    2177.3138 
Loop time of 129.159 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.669 ns/day, 35.878 hours/ns, 7.742 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 128.95     | 128.95     | 128.95     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033992   | 0.033992   | 0.033992   |   0.0 |  0.03
Output  | 8.6955e-05 | 8.6955e-05 | 8.6955e-05 |   0.0 |  0.00
Modify  | 0.15253    | 0.15253    | 0.15253    |   0.0 |  0.12
Other   |            | 0.02119    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4123.00 ave        4123 max        4123 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238830.0 ave      238830 max      238830 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238830
Ave neighs/atom = 119.41500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.881130799942, Press = -0.0572952071541886
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  406000   -8385.0204   -8385.0204   -8471.8748   -8471.8748    336.13552    336.13552    23790.512    23790.512    2177.3138    2177.3138 
  407000   -8389.6044   -8389.6044   -8475.2303   -8475.2303    331.38107    331.38107    23814.759    23814.759   -159.41674   -159.41674 
Loop time of 138.602 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.623 ns/day, 38.500 hours/ns, 7.215 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 138.38     | 138.38     | 138.38     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.036595   | 0.036595   | 0.036595   |   0.0 |  0.03
Output  | 8.9303e-05 | 8.9303e-05 | 8.9303e-05 |   0.0 |  0.00
Modify  | 0.16324    | 0.16324    | 0.16324    |   0.0 |  0.12
Other   |            | 0.02262    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4128.00 ave        4128 max        4128 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239804.0 ave      239804 max      239804 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239804
Ave neighs/atom = 119.90200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.879374110046, Press = -0.184082389872308
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  407000   -8389.6044   -8389.6044   -8475.2303   -8475.2303    331.38107    331.38107    23814.759    23814.759   -159.41674   -159.41674 
  408000   -8389.2024   -8389.2024   -8472.5674   -8472.5674    322.63131    322.63131    23831.907    23831.907   -1040.3343   -1040.3343 
Loop time of 130.381 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.663 ns/day, 36.217 hours/ns, 7.670 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 130.17     | 130.17     | 130.17     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034446   | 0.034446   | 0.034446   |   0.0 |  0.03
Output  | 8.9005e-05 | 8.9005e-05 | 8.9005e-05 |   0.0 |  0.00
Modify  | 0.15462    | 0.15462    | 0.15462    |   0.0 |  0.12
Other   |            | 0.02172    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4134.00 ave        4134 max        4134 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239424.0 ave      239424 max      239424 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239424
Ave neighs/atom = 119.71200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.881277625363, Press = -0.061679893496468
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  408000   -8389.2024   -8389.2024   -8472.5674   -8472.5674    322.63131    322.63131    23831.907    23831.907   -1040.3343   -1040.3343 
  409000   -8387.6525   -8387.6525   -8474.3081   -8474.3081    335.36627    335.36627    23787.673    23787.673    1839.2046    1839.2046 
Loop time of 139.932 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.617 ns/day, 38.870 hours/ns, 7.146 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 139.7      | 139.7      | 139.7      |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038049   | 0.038049   | 0.038049   |   0.0 |  0.03
Output  | 9.1339e-05 | 9.1339e-05 | 9.1339e-05 |   0.0 |  0.00
Modify  | 0.17154    | 0.17154    | 0.17154    |   0.0 |  0.12
Other   |            | 0.02626    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4132.00 ave        4132 max        4132 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239210.0 ave      239210 max      239210 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239210
Ave neighs/atom = 119.60500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.873914640805, Press = 0.0246076780909827
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  409000   -8387.6525   -8387.6525   -8474.3081   -8474.3081    335.36627    335.36627    23787.673    23787.673    1839.2046    1839.2046 
  410000   -8390.4975   -8390.4975   -8474.9953   -8474.9953    327.01502    327.01502    23804.238    23804.238    515.23227    515.23227 
Loop time of 146.658 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.589 ns/day, 40.738 hours/ns, 6.819 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 146.41     | 146.41     | 146.41     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039061   | 0.039061   | 0.039061   |   0.0 |  0.03
Output  | 9.3539e-05 | 9.3539e-05 | 9.3539e-05 |   0.0 |  0.00
Modify  | 0.17784    | 0.17784    | 0.17784    |   0.0 |  0.12
Other   |            | 0.02703    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4121.00 ave        4121 max        4121 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239766.0 ave      239766 max      239766 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239766
Ave neighs/atom = 119.88300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.872399098615, Press = -0.376777273550028
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  410000   -8390.4975   -8390.4975   -8474.9953   -8474.9953    327.01502    327.01502    23804.238    23804.238    515.23227    515.23227 
  411000   -8381.3544   -8381.3544   -8469.7282   -8469.7282    342.01588    342.01588    23899.606    23899.606   -5038.4501   -5038.4501 
Loop time of 131.247 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.658 ns/day, 36.457 hours/ns, 7.619 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.04     | 131.04     | 131.04     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034426   | 0.034426   | 0.034426   |   0.0 |  0.03
Output  | 9.7401e-05 | 9.7401e-05 | 9.7401e-05 |   0.0 |  0.00
Modify  | 0.15424    | 0.15424    | 0.15424    |   0.0 |  0.12
Other   |            | 0.021      |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239424.0 ave      239424 max      239424 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239424
Ave neighs/atom = 119.71200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.878845097345, Press = 0.00291428057282832
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  411000   -8381.3544   -8381.3544   -8469.7282   -8469.7282    342.01588    342.01588    23899.606    23899.606   -5038.4501   -5038.4501 
  412000    -8390.495    -8390.495   -8475.8158   -8475.8158    330.20027    330.20027     23787.86     23787.86    1550.6454    1550.6454 
Loop time of 138.556 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.624 ns/day, 38.488 hours/ns, 7.217 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 138.32     | 138.32     | 138.32     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.037335   | 0.037335   | 0.037335   |   0.0 |  0.03
Output  | 0.00016471 | 0.00016471 | 0.00016471 |   0.0 |  0.00
Modify  | 0.1694     | 0.1694     | 0.1694     |   0.0 |  0.12
Other   |            | 0.02586    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4120.00 ave        4120 max        4120 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238240.0 ave      238240 max      238240 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238240
Ave neighs/atom = 119.12000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.882557969662, Press = 0.0105679762535526
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  412000    -8390.495    -8390.495   -8475.8158   -8475.8158    330.20027    330.20027     23787.86     23787.86    1550.6454    1550.6454 
  413000   -8387.4082   -8387.4082   -8473.2722   -8473.2722    332.30266    332.30266    23818.312    23818.312   -152.60713   -152.60713 
Loop time of 158.696 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.544 ns/day, 44.082 hours/ns, 6.301 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 158.42     | 158.42     | 158.42     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.043494   | 0.043494   | 0.043494   |   0.0 |  0.03
Output  | 9.2969e-05 | 9.2969e-05 | 9.2969e-05 |   0.0 |  0.00
Modify  | 0.19608    | 0.19608    | 0.19608    |   0.0 |  0.12
Other   |            | 0.03137    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4128.00 ave        4128 max        4128 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239662.0 ave      239662 max      239662 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239662
Ave neighs/atom = 119.83100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.878331208825, Press = -0.194141443939217
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  413000   -8387.4082   -8387.4082   -8473.2722   -8473.2722    332.30266    332.30266    23818.312    23818.312   -152.60713   -152.60713 
  414000   -8388.9747   -8388.9747   -8474.9428   -8474.9428    332.70527    332.70527    23837.744    23837.744    -1664.385    -1664.385 
Loop time of 133.451 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.647 ns/day, 37.070 hours/ns, 7.493 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 133.23     | 133.23     | 133.23     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035833   | 0.035833   | 0.035833   |   0.0 |  0.03
Output  | 8.4053e-05 | 8.4053e-05 | 8.4053e-05 |   0.0 |  0.00
Modify  | 0.16103    | 0.16103    | 0.16103    |   0.0 |  0.12
Other   |            | 0.02397    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4126.00 ave        4126 max        4126 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239346.0 ave      239346 max      239346 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239346
Ave neighs/atom = 119.67300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.87243930199, Press = -0.0148602261353325
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  414000   -8388.9747   -8388.9747   -8474.9428   -8474.9428    332.70527    332.70527    23837.744    23837.744    -1664.385    -1664.385 
  415000   -8386.4021   -8386.4021   -8472.8515   -8472.8515     334.5681     334.5681    23789.724    23789.724     1910.086     1910.086 
Loop time of 135.561 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.637 ns/day, 37.656 hours/ns, 7.377 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 135.34     | 135.34     | 135.34     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035773   | 0.035773   | 0.035773   |   0.0 |  0.03
Output  | 0.00016299 | 0.00016299 | 0.00016299 |   0.0 |  0.00
Modify  | 0.15957    | 0.15957    | 0.15957    |   0.0 |  0.12
Other   |            | 0.02234    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4121.00 ave        4121 max        4121 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238952.0 ave      238952 max      238952 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238952
Ave neighs/atom = 119.47600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.867203040578, Press = -0.00968039321885187
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  415000   -8386.4021   -8386.4021   -8472.8515   -8472.8515     334.5681     334.5681    23789.724    23789.724     1910.086     1910.086 
  416000   -8391.9594   -8391.9594   -8472.7746   -8472.7746    312.76334    312.76334    23806.508    23806.508    524.41968    524.41968 
Loop time of 144.421 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.598 ns/day, 40.117 hours/ns, 6.924 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 144.17     | 144.17     | 144.17     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039544   | 0.039544   | 0.039544   |   0.0 |  0.03
Output  | 8.3255e-05 | 8.3255e-05 | 8.3255e-05 |   0.0 |  0.00
Modify  | 0.17878    | 0.17878    | 0.17878    |   0.0 |  0.12
Other   |            | 0.02892    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4127.00 ave        4127 max        4127 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239860.0 ave      239860 max      239860 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239860
Ave neighs/atom = 119.93000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.86516299054, Press = -0.352905743191579
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  416000   -8391.9594   -8391.9594   -8472.7746   -8472.7746    312.76334    312.76334    23806.508    23806.508    524.41968    524.41968 
  417000   -8387.6925   -8387.6925   -8473.9581   -8473.9581    333.85689    333.85689    23871.024    23871.024   -3864.0617   -3864.0617 
Loop time of 131.305 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.658 ns/day, 36.474 hours/ns, 7.616 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.09     | 131.09     | 131.09     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03447    | 0.03447    | 0.03447    |   0.0 |  0.03
Output  | 9.1953e-05 | 9.1953e-05 | 9.1953e-05 |   0.0 |  0.00
Modify  | 0.15445    | 0.15445    | 0.15445    |   0.0 |  0.12
Other   |            | 0.02166    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4122.00 ave        4122 max        4122 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239652.0 ave      239652 max      239652 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239652
Ave neighs/atom = 119.82600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.865138855938, Press = 0.0140842674296611
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  417000   -8387.6925   -8387.6925   -8473.9581   -8473.9581    333.85689    333.85689    23871.024    23871.024   -3864.0617   -3864.0617 
  418000   -8382.9556   -8382.9556   -8470.8792   -8470.8792    340.27361    340.27361    23798.075    23798.075    1763.1402    1763.1402 
Loop time of 130.481 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.662 ns/day, 36.245 hours/ns, 7.664 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 130.27     | 130.27     | 130.27     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034698   | 0.034698   | 0.034698   |   0.0 |  0.03
Output  | 8.6723e-05 | 8.6723e-05 | 8.6723e-05 |   0.0 |  0.00
Modify  | 0.15619    | 0.15619    | 0.15619    |   0.0 |  0.12
Other   |            | 0.0223     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238412.0 ave      238412 max      238412 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238412
Ave neighs/atom = 119.20600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.868232881368, Press = 0.0238979547859565
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  418000   -8382.9556   -8382.9556   -8470.8792   -8470.8792    340.27361    340.27361    23798.075    23798.075    1763.1402    1763.1402 
  419000   -8388.8785   -8388.8785   -8474.9197   -8474.9197    332.98813    332.98813    23820.543    23820.543   -581.78972   -581.78972 
Loop time of 135.44 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.638 ns/day, 37.622 hours/ns, 7.383 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 135.22     | 135.22     | 135.22     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035671   | 0.035671   | 0.035671   |   0.0 |  0.03
Output  | 8.4954e-05 | 8.4954e-05 | 8.4954e-05 |   0.0 |  0.00
Modify  | 0.1597     | 0.1597     | 0.1597     |   0.0 |  0.12
Other   |            | 0.02233    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4131.00 ave        4131 max        4131 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239744.0 ave      239744 max      239744 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239744
Ave neighs/atom = 119.87200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.875945595533, Press = -0.169366680106444
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  419000   -8388.8785   -8388.8785   -8474.9197   -8474.9197    332.98813    332.98813    23820.543    23820.543   -581.78972   -581.78972 
  420000   -8382.3159   -8382.3159   -8473.5454   -8473.5454    353.06748    353.06748    23844.481    23844.481   -1802.8744   -1802.8744 
Loop time of 141.328 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.611 ns/day, 39.258 hours/ns, 7.076 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 141.09     | 141.09     | 141.09     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038766   | 0.038766   | 0.038766   |   0.0 |  0.03
Output  | 9.169e-05  | 9.169e-05  | 9.169e-05  |   0.0 |  0.00
Modify  | 0.17535    | 0.17535    | 0.17535    |   0.0 |  0.12
Other   |            | 0.02769    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239186.0 ave      239186 max      239186 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239186
Ave neighs/atom = 119.59300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.882301333173, Press = 0.016301626549331
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  420000   -8382.3159   -8382.3159   -8473.5454   -8473.5454    353.06748    353.06748    23844.481    23844.481   -1802.8744   -1802.8744 
  421000   -8388.8942   -8388.8942   -8474.0386   -8474.0386     329.5176     329.5176    23782.258    23782.258    2217.1626    2217.1626 
Loop time of 131.903 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.655 ns/day, 36.640 hours/ns, 7.581 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.69     | 131.69     | 131.69     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03503    | 0.03503    | 0.03503    |   0.0 |  0.03
Output  | 8.6591e-05 | 8.6591e-05 | 8.6591e-05 |   0.0 |  0.00
Modify  | 0.15581    | 0.15581    | 0.15581    |   0.0 |  0.12
Other   |            | 0.02171    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238958.0 ave      238958 max      238958 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238958
Ave neighs/atom = 119.47900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.888029545578, Press = 0.0196078171407599
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  421000   -8388.8942   -8388.8942   -8474.0386   -8474.0386     329.5176     329.5176    23782.258    23782.258    2217.1626    2217.1626 
  422000   -8387.9647   -8387.9647    -8472.067    -8472.067    325.48459    325.48459    23805.669    23805.669    915.49828    915.49828 
Loop time of 147.127 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.587 ns/day, 40.869 hours/ns, 6.797 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 146.88     | 146.88     | 146.88     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039709   | 0.039709   | 0.039709   |   0.0 |  0.03
Output  | 0.00015861 | 0.00015861 | 0.00015861 |   0.0 |  0.00
Modify  | 0.18045    | 0.18045    | 0.18045    |   0.0 |  0.12
Other   |            | 0.02802    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4131.00 ave        4131 max        4131 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      240098.0 ave      240098 max      240098 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 240098
Ave neighs/atom = 120.04900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.891014894121, Press = -0.309341233810304
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  422000   -8387.9647   -8387.9647    -8472.067    -8472.067    325.48459    325.48459    23805.669    23805.669    915.49828    915.49828 
  423000   -8390.6742   -8390.6742   -8477.2612   -8477.2612    335.10074    335.10074    23870.566    23870.566   -4214.3961   -4214.3961 
Loop time of 172.176 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.502 ns/day, 47.827 hours/ns, 5.808 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 171.88     | 171.88     | 171.88     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.046565   | 0.046565   | 0.046565   |   0.0 |  0.03
Output  | 9.417e-05  | 9.417e-05  | 9.417e-05  |   0.0 |  0.00
Modify  | 0.21312    | 0.21312    | 0.21312    |   0.0 |  0.12
Other   |            | 0.03415    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4128.00 ave        4128 max        4128 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239588.0 ave      239588 max      239588 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239588
Ave neighs/atom = 119.79400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.88431151311, Press = -0.00582791350001245
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  423000   -8390.6742   -8390.6742   -8477.2612   -8477.2612    335.10074    335.10074    23870.566    23870.566   -4214.3961   -4214.3961 
  424000   -8387.8703   -8387.8703   -8473.0786   -8473.0786    329.76499    329.76499     23796.64     23796.64    1457.9782    1457.9782 
Loop time of 207.969 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.415 ns/day, 57.769 hours/ns, 4.808 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 207.62     | 207.62     | 207.62     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.055989   | 0.055989   | 0.055989   |   0.0 |  0.03
Output  | 0.00016986 | 0.00016986 | 0.00016986 |   0.0 |  0.00
Modify  | 0.25686    | 0.25686    | 0.25686    |   0.0 |  0.12
Other   |            | 0.04096    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4122.00 ave        4122 max        4122 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238162.0 ave      238162 max      238162 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238162
Ave neighs/atom = 119.08100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.882916478107, Press = 0.0213297222079908
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  424000   -8387.8703   -8387.8703   -8473.0786   -8473.0786    329.76499    329.76499     23796.64     23796.64    1457.9782    1457.9782 
  425000   -8384.0422   -8384.0422   -8470.1177   -8470.1177    333.12117    333.12117    23814.889    23814.889    618.24233    618.24233 
Loop time of 141.605 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.610 ns/day, 39.335 hours/ns, 7.062 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 141.38     | 141.38     | 141.38     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.037441   | 0.037441   | 0.037441   |   0.0 |  0.03
Output  | 0.00010523 | 0.00010523 | 0.00010523 |   0.0 |  0.00
Modify  | 0.16826    | 0.16826    | 0.16826    |   0.0 |  0.12
Other   |            | 0.02433    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4127.00 ave        4127 max        4127 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239392.0 ave      239392 max      239392 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239392
Ave neighs/atom = 119.69600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.882788048733, Press = -0.119662593945317
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  425000   -8384.0422   -8384.0422   -8470.1177   -8470.1177    333.12117    333.12117    23814.889    23814.889    618.24233    618.24233 
  426000   -8388.4833   -8388.4833   -8474.4495   -8474.4495    332.69798    332.69798    23833.479    23833.479   -1330.5783   -1330.5783 
Loop time of 129.887 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.665 ns/day, 36.080 hours/ns, 7.699 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 129.68     | 129.68     | 129.68     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034487   | 0.034487   | 0.034487   |   0.0 |  0.03
Output  | 8.4826e-05 | 8.4826e-05 | 8.4826e-05 |   0.0 |  0.00
Modify  | 0.15283    | 0.15283    | 0.15283    |   0.0 |  0.12
Other   |            | 0.02158    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4140.00 ave        4140 max        4140 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239506.0 ave      239506 max      239506 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239506
Ave neighs/atom = 119.75300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.890250848825, Press = -0.0655176277663937
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  426000   -8388.4833   -8388.4833   -8474.4495   -8474.4495    332.69798    332.69798    23833.479    23833.479   -1330.5783   -1330.5783 
  427000   -8385.3018   -8385.3018   -8472.1289   -8472.1289    336.02998    336.02998     23799.73     23799.73    1342.6361    1342.6361 
Loop time of 142.606 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.606 ns/day, 39.613 hours/ns, 7.012 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 142.37     | 142.37     | 142.37     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0382     | 0.0382     | 0.0382     |   0.0 |  0.03
Output  | 8.9177e-05 | 8.9177e-05 | 8.9177e-05 |   0.0 |  0.00
Modify  | 0.17224    | 0.17224    | 0.17224    |   0.0 |  0.12
Other   |            | 0.02565    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4127.00 ave        4127 max        4127 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239066.0 ave      239066 max      239066 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239066
Ave neighs/atom = 119.53300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.893865303303, Press = 0.087244233629671
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  427000   -8385.3018   -8385.3018   -8472.1289   -8472.1289    336.02998    336.02998     23799.73     23799.73    1342.6361    1342.6361 
  428000   -8388.9429   -8388.9429   -8474.0883   -8474.0883    329.52151    329.52151    23774.848    23774.848    2671.1313    2671.1313 
Loop time of 150.241 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.575 ns/day, 41.734 hours/ns, 6.656 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 149.99     | 149.99     | 149.99     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040317   | 0.040317   | 0.040317   |   0.0 |  0.03
Output  | 8.6113e-05 | 8.6113e-05 | 8.6113e-05 |   0.0 |  0.00
Modify  | 0.18234    | 0.18234    | 0.18234    |   0.0 |  0.12
Other   |            | 0.02826    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239844.0 ave      239844 max      239844 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239844
Ave neighs/atom = 119.92200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.894322169341, Press = -0.325196868069445
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  428000   -8388.9429   -8388.9429   -8474.0883   -8474.0883    329.52151    329.52151    23774.848    23774.848    2671.1313    2671.1313 
  429000   -8387.1211   -8387.1211   -8472.9303   -8472.9303    332.09049    332.09049    23864.045    23864.045   -3106.0862   -3106.0862 
Loop time of 134.134 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.644 ns/day, 37.259 hours/ns, 7.455 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 133.91     | 133.91     | 133.91     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035852   | 0.035852   | 0.035852   |   0.0 |  0.03
Output  | 9.1821e-05 | 9.1821e-05 | 9.1821e-05 |   0.0 |  0.00
Modify  | 0.1609     | 0.1609     | 0.1609     |   0.0 |  0.12
Other   |            | 0.02357    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4128.00 ave        4128 max        4128 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      240212.0 ave      240212 max      240212 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 240212
Ave neighs/atom = 120.10600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.89334752396, Press = -0.0919121837654034
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  429000   -8387.1211   -8387.1211   -8472.9303   -8472.9303    332.09049    332.09049    23864.045    23864.045   -3106.0862   -3106.0862 
  430000   -8387.7584   -8387.7584   -8474.3875   -8474.3875    335.26352    335.26352    23798.847    23798.847    1052.6269    1052.6269 
Loop time of 161.082 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.536 ns/day, 44.745 hours/ns, 6.208 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 160.8      | 160.8      | 160.8      |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.044143   | 0.044143   | 0.044143   |   0.0 |  0.03
Output  | 8.8758e-05 | 8.8758e-05 | 8.8758e-05 |   0.0 |  0.00
Modify  | 0.20121    | 0.20121    | 0.20121    |   0.0 |  0.12
Other   |            | 0.03229    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4124.00 ave        4124 max        4124 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238672.0 ave      238672 max      238672 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238672
Ave neighs/atom = 119.33600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.896771699557, Press = 0.0949555375119452
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  430000   -8387.7584   -8387.7584   -8474.3875   -8474.3875    335.26352    335.26352    23798.847    23798.847    1052.6269    1052.6269 
  431000   -8384.9204   -8384.9204   -8470.9236   -8470.9236    332.84129    332.84129    23805.407    23805.407    1037.3939    1037.3939 
Loop time of 151.892 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.569 ns/day, 42.192 hours/ns, 6.584 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 151.64     | 151.64     | 151.64     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04118    | 0.04118    | 0.04118    |   0.0 |  0.03
Output  | 8.6224e-05 | 8.6224e-05 | 8.6224e-05 |   0.0 |  0.00
Modify  | 0.18681    | 0.18681    | 0.18681    |   0.0 |  0.12
Other   |            | 0.02883    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4129.00 ave        4129 max        4129 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239756.0 ave      239756 max      239756 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239756
Ave neighs/atom = 119.87800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.895017169512, Press = -0.162326941293897
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  431000   -8384.9204   -8384.9204   -8470.9236   -8470.9236    332.84129    332.84129    23805.407    23805.407    1037.3939    1037.3939 
  432000   -8388.7579   -8388.7579   -8473.4553   -8473.4553    327.78765    327.78765    23842.627    23842.627    -1844.393    -1844.393 
Loop time of 138.44 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.624 ns/day, 38.456 hours/ns, 7.223 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 138.22     | 138.22     | 138.22     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.036675   | 0.036675   | 0.036675   |   0.0 |  0.03
Output  | 8.4264e-05 | 8.4264e-05 | 8.4264e-05 |   0.0 |  0.00
Modify  | 0.16422    | 0.16422    | 0.16422    |   0.0 |  0.12
Other   |            | 0.02361    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4127.00 ave        4127 max        4127 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239704.0 ave      239704 max      239704 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239704
Ave neighs/atom = 119.85200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.897615079695, Press = -0.0691056217488874
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  432000   -8388.7579   -8388.7579   -8473.4553   -8473.4553    327.78765    327.78765    23842.627    23842.627    -1844.393    -1844.393 
  433000   -8382.8237   -8382.8237   -8471.7751   -8471.7751    344.25144    344.25144    23799.919    23799.919    1481.9169    1481.9169 
Loop time of 150.684 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.573 ns/day, 41.857 hours/ns, 6.636 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 150.43     | 150.43     | 150.43     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041013   | 0.041013   | 0.041013   |   0.0 |  0.03
Output  | 8.8832e-05 | 8.8832e-05 | 8.8832e-05 |   0.0 |  0.00
Modify  | 0.18568    | 0.18568    | 0.18568    |   0.0 |  0.12
Other   |            | 0.029      |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4126.00 ave        4126 max        4126 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239034.0 ave      239034 max      239034 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239034
Ave neighs/atom = 119.51700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.905295128427, Press = 0.186791317676975
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  433000   -8382.8237   -8382.8237   -8471.7751   -8471.7751    344.25144    344.25144    23799.919    23799.919    1481.9169    1481.9169 
  434000   -8386.0132   -8386.0132   -8474.2164   -8474.2164    341.35538    341.35538    23780.925    23780.925    2417.5594    2417.5594 
Loop time of 158.614 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.545 ns/day, 44.060 hours/ns, 6.305 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 158.35     | 158.35     | 158.35     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04247    | 0.04247    | 0.04247    |   0.0 |  0.03
Output  | 8.7012e-05 | 8.7012e-05 | 8.7012e-05 |   0.0 |  0.00
Modify  | 0.19185    | 0.19185    | 0.19185    |   0.0 |  0.12
Other   |            | 0.02913    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4128.00 ave        4128 max        4128 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239808.0 ave      239808 max      239808 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239808
Ave neighs/atom = 119.90400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.905240113594, Press = -0.261724155462357
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  434000   -8386.0132   -8386.0132   -8474.2164   -8474.2164    341.35538    341.35538    23780.925    23780.925    2417.5594    2417.5594 
  435000   -8391.0649   -8391.0649   -8477.1016   -8477.1016    332.97105    332.97105    23842.025    23842.025   -2369.4023   -2369.4023 
Loop time of 139.195 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.621 ns/day, 38.665 hours/ns, 7.184 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 138.97     | 138.97     | 138.97     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03695    | 0.03695    | 0.03695    |   0.0 |  0.03
Output  | 9.8938e-05 | 9.8938e-05 | 9.8938e-05 |   0.0 |  0.00
Modify  | 0.16623    | 0.16623    | 0.16623    |   0.0 |  0.12
Other   |            | 0.02448    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4121.00 ave        4121 max        4121 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      240044.0 ave      240044 max      240044 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 240044
Ave neighs/atom = 120.02200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.903784828774, Press = -0.0923182925643597
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  435000   -8391.0649   -8391.0649   -8477.1016   -8477.1016    332.97105    332.97105    23842.025    23842.025   -2369.4023   -2369.4023 
  436000   -8387.6635   -8387.6635   -8472.7792   -8472.7792    329.40649    329.40649    23811.212    23811.212    331.19196    331.19196 
Loop time of 149.62 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.577 ns/day, 41.561 hours/ns, 6.684 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 149.37     | 149.37     | 149.37     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039824   | 0.039824   | 0.039824   |   0.0 |  0.03
Output  | 9.3038e-05 | 9.3038e-05 | 9.3038e-05 |   0.0 |  0.00
Modify  | 0.17859    | 0.17859    | 0.17859    |   0.0 |  0.12
Other   |            | 0.02631    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4126.00 ave        4126 max        4126 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238756.0 ave      238756 max      238756 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238756
Ave neighs/atom = 119.37800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.897119341709, Press = 0.0848110398733811
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  436000   -8387.6635   -8387.6635   -8472.7792   -8472.7792    329.40649    329.40649    23811.212    23811.212    331.19196    331.19196 
  437000   -8390.0829   -8390.0829   -8477.4106   -8477.4106    337.96736    337.96736    23790.113    23790.113    1261.0701    1261.0701 
Loop time of 132.267 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.653 ns/day, 36.741 hours/ns, 7.560 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 132.05     | 132.05     | 132.05     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035025   | 0.035025   | 0.035025   |   0.0 |  0.03
Output  | 9.6811e-05 | 9.6811e-05 | 9.6811e-05 |   0.0 |  0.00
Modify  | 0.15631    | 0.15631    | 0.15631    |   0.0 |  0.12
Other   |            | 0.02224    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4131.00 ave        4131 max        4131 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239708.0 ave      239708 max      239708 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239708
Ave neighs/atom = 119.85400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.895062048359, Press = -0.100449141194181
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  437000   -8390.0829   -8390.0829   -8477.4106   -8477.4106    337.96736    337.96736    23790.113    23790.113    1261.0701    1261.0701 
  438000   -8386.4208   -8386.4208     -8474.22     -8474.22    339.79182    339.79182    23859.998    23859.998   -3016.9668   -3016.9668 
Loop time of 131.786 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.656 ns/day, 36.607 hours/ns, 7.588 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.58     | 131.58     | 131.58     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03455    | 0.03455    | 0.03455    |   0.0 |  0.03
Output  | 8.4686e-05 | 8.4686e-05 | 8.4686e-05 |   0.0 |  0.00
Modify  | 0.15362    | 0.15362    | 0.15362    |   0.0 |  0.12
Other   |            | 0.02129    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4130.00 ave        4130 max        4130 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239408.0 ave      239408 max      239408 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239408
Ave neighs/atom = 119.70400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.890933651447, Press = -0.166661847707234
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  438000   -8386.4208   -8386.4208     -8474.22     -8474.22    339.79182    339.79182    23859.998    23859.998   -3016.9668   -3016.9668 
  439000   -8385.4213   -8385.4213   -8472.7126   -8472.7126    337.82654    337.82654    23813.182    23813.182     471.2753     471.2753 
Loop time of 156.801 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.551 ns/day, 43.556 hours/ns, 6.378 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 156.53     | 156.53     | 156.53     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.042529   | 0.042529   | 0.042529   |   0.0 |  0.03
Output  | 8.5451e-05 | 8.5451e-05 | 8.5451e-05 |   0.0 |  0.00
Modify  | 0.19299    | 0.19299    | 0.19299    |   0.0 |  0.12
Other   |            | 0.03026    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238730.0 ave      238730 max      238730 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238730
Ave neighs/atom = 119.36500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.892007707927, Press = 0.341780353735543
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  439000   -8385.4213   -8385.4213   -8472.7126   -8472.7126    337.82654    337.82654    23813.182    23813.182     471.2753     471.2753 
  440000   -8389.0552   -8389.0552   -8472.8049   -8472.8049    324.11963    324.11963    23781.044    23781.044     2424.383     2424.383 
Loop time of 130.031 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.664 ns/day, 36.120 hours/ns, 7.690 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 129.82     | 129.82     | 129.82     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034919   | 0.034919   | 0.034919   |   0.0 |  0.03
Output  | 8.4805e-05 | 8.4805e-05 | 8.4805e-05 |   0.0 |  0.00
Modify  | 0.15705    | 0.15705    | 0.15705    |   0.0 |  0.12
Other   |            | 0.02308    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4126.00 ave        4126 max        4126 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239392.0 ave      239392 max      239392 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239392
Ave neighs/atom = 119.69600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.894096352956, Press = -0.0869979964193422
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  440000   -8389.0552   -8389.0552   -8472.8049   -8472.8049    324.11963    324.11963    23781.044    23781.044     2424.383     2424.383 
  441000   -8387.7231   -8387.7231   -8473.2935   -8473.2935     331.1665     331.1665    23843.167    23843.167   -1823.2001   -1823.2001 
Loop time of 131.33 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.658 ns/day, 36.480 hours/ns, 7.614 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.12     | 131.12     | 131.12     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03435    | 0.03435    | 0.03435    |   0.0 |  0.03
Output  | 9.4075e-05 | 9.4075e-05 | 9.4075e-05 |   0.0 |  0.00
Modify  | 0.15261    | 0.15261    | 0.15261    |   0.0 |  0.12
Other   |            | 0.02088    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4122.00 ave        4122 max        4122 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239978.0 ave      239978 max      239978 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239978
Ave neighs/atom = 119.98900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.901854486069, Press = -0.0801025593753874
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  441000   -8387.7231   -8387.7231   -8473.2935   -8473.2935     331.1665     331.1665    23843.167    23843.167   -1823.2001   -1823.2001 
  442000   -8387.2546   -8387.2546   -8473.0488   -8473.0488    332.03261    332.03261    23816.941    23816.941    47.126027    47.126027 
Loop time of 131.384 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.658 ns/day, 36.496 hours/ns, 7.611 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.17     | 131.17     | 131.17     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034821   | 0.034821   | 0.034821   |   0.0 |  0.03
Output  | 9.5043e-05 | 9.5043e-05 | 9.5043e-05 |   0.0 |  0.00
Modify  | 0.15424    | 0.15424    | 0.15424    |   0.0 |  0.12
Other   |            | 0.02161    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4132.00 ave        4132 max        4132 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238950.0 ave      238950 max      238950 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238950
Ave neighs/atom = 119.47500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.902571898381, Press = 0.128664036247907
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  442000   -8387.2546   -8387.2546   -8473.0488   -8473.0488    332.03261    332.03261    23816.941    23816.941    47.126027    47.126027 
  443000   -8388.0467   -8388.0467   -8472.0893   -8472.0893    325.25351    325.25351    23776.832    23776.832    2795.1151    2795.1151 
Loop time of 148.188 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.583 ns/day, 41.163 hours/ns, 6.748 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 147.93     | 147.93     | 147.93     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040417   | 0.040417   | 0.040417   |   0.0 |  0.03
Output  | 9.3625e-05 | 9.3625e-05 | 9.3625e-05 |   0.0 |  0.00
Modify  | 0.18453    | 0.18453    | 0.18453    |   0.0 |  0.12
Other   |            | 0.02973    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4129.00 ave        4129 max        4129 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239334.0 ave      239334 max      239334 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239334
Ave neighs/atom = 119.66700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.900933320727, Press = -0.0809247563906795
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  443000   -8388.0467   -8388.0467   -8472.0893   -8472.0893    325.25351    325.25351    23776.832    23776.832    2795.1151    2795.1151 
  444000   -8389.5169   -8389.5169   -8474.3368   -8474.3368    328.26148    328.26148    23853.498    23853.498   -2696.0254   -2696.0254 
Loop time of 132.844 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.650 ns/day, 36.901 hours/ns, 7.528 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 132.62     | 132.62     | 132.62     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.036425   | 0.036425   | 0.036425   |   0.0 |  0.03
Output  | 0.00016018 | 0.00016018 | 0.00016018 |   0.0 |  0.00
Modify  | 0.16498    | 0.16498    | 0.16498    |   0.0 |  0.12
Other   |            | 0.02569    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      240102.0 ave      240102 max      240102 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 240102
Ave neighs/atom = 120.05100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.894872969437, Press = -0.210558475529569
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  444000   -8389.5169   -8389.5169   -8474.3368   -8474.3368    328.26148    328.26148    23853.498    23853.498   -2696.0254   -2696.0254 
  445000   -8387.9737   -8387.9737     -8475.46     -8475.46    338.58106    338.58106    23829.948    23829.948   -1033.7042   -1033.7042 
Loop time of 142.137 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.608 ns/day, 39.482 hours/ns, 7.035 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 141.89     | 141.89     | 141.89     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039073   | 0.039073   | 0.039073   |   0.0 |  0.03
Output  | 8.727e-05  | 8.727e-05  | 8.727e-05  |   0.0 |  0.00
Modify  | 0.17714    | 0.17714    | 0.17714    |   0.0 |  0.12
Other   |            | 0.02862    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4126.00 ave        4126 max        4126 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238814.0 ave      238814 max      238814 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238814
Ave neighs/atom = 119.40700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.893806032987, Press = 0.155297948351626
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  445000   -8387.9737   -8387.9737     -8475.46     -8475.46    338.58106    338.58106    23829.948    23829.948   -1033.7042   -1033.7042 
  446000   -8387.1311   -8387.1311   -8475.0102   -8475.0102    340.10136    340.10136    23798.705    23798.705    1202.8239    1202.8239 
Loop time of 137.448 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.629 ns/day, 38.180 hours/ns, 7.275 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 137.22     | 137.22     | 137.22     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.036702   | 0.036702   | 0.036702   |   0.0 |  0.03
Output  | 9.9343e-05 | 9.9343e-05 | 9.9343e-05 |   0.0 |  0.00
Modify  | 0.16527    | 0.16527    | 0.16527    |   0.0 |  0.12
Other   |            | 0.0243     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4122.00 ave        4122 max        4122 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238886.0 ave      238886 max      238886 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238886
Ave neighs/atom = 119.44300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.88684609159, Press = -0.0129132515820812
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  446000   -8387.1311   -8387.1311   -8475.0102   -8475.0102    340.10136    340.10136    23798.705    23798.705    1202.8239    1202.8239 
  447000   -8390.5486   -8390.5486   -8477.0846   -8477.0846    334.90317    334.90317    23824.949    23824.949   -986.36266   -986.36266 
Loop time of 160.91 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.537 ns/day, 44.697 hours/ns, 6.215 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 160.63     | 160.63     | 160.63     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.043675   | 0.043675   | 0.043675   |   0.0 |  0.03
Output  | 0.00016107 | 0.00016107 | 0.00016107 |   0.0 |  0.00
Modify  | 0.1993     | 0.1993     | 0.1993     |   0.0 |  0.12
Other   |            | 0.03222    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4121.00 ave        4121 max        4121 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239644.0 ave      239644 max      239644 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239644
Ave neighs/atom = 119.82200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.885620958922, Press = -0.0807617516799492
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  447000   -8390.5486   -8390.5486   -8477.0846   -8477.0846    334.90317    334.90317    23824.949    23824.949   -986.36266   -986.36266 
  448000    -8390.162    -8390.162   -8475.6199   -8475.6199    330.73088    330.73088    23821.707    23821.707   -709.03566   -709.03566 
Loop time of 130.264 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.663 ns/day, 36.184 hours/ns, 7.677 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 130.05     | 130.05     | 130.05     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034595   | 0.034595   | 0.034595   |   0.0 |  0.03
Output  | 9.1978e-05 | 9.1978e-05 | 9.1978e-05 |   0.0 |  0.00
Modify  | 0.15498    | 0.15498    | 0.15498    |   0.0 |  0.12
Other   |            | 0.02215    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4121.00 ave        4121 max        4121 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239102.0 ave      239102 max      239102 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239102
Ave neighs/atom = 119.55100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.884306918685, Press = 0.0696620187029272
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  448000    -8390.162    -8390.162   -8475.6199   -8475.6199    330.73088    330.73088    23821.707    23821.707   -709.03566   -709.03566 
  449000   -8389.7255   -8389.7255   -8474.7975   -8474.7975    329.23735    329.23735    23738.122    23738.122    5112.1671    5112.1671 
Loop time of 128.532 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.672 ns/day, 35.703 hours/ns, 7.780 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 128.33     | 128.33     | 128.33     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033725   | 0.033725   | 0.033725   |   0.0 |  0.03
Output  | 8.9557e-05 | 8.9557e-05 | 8.9557e-05 |   0.0 |  0.00
Modify  | 0.1514     | 0.1514     | 0.1514     |   0.0 |  0.12
Other   |            | 0.02122    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239224.0 ave      239224 max      239224 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239224
Ave neighs/atom = 119.61200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.887107446363, Press = -0.0276604020850603
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  449000   -8389.7255   -8389.7255   -8474.7975   -8474.7975    329.23735    329.23735    23738.122    23738.122    5112.1671    5112.1671 
  450000    -8383.242    -8383.242   -8470.0366   -8470.0366    335.90408    335.90408    23856.123    23856.123   -2141.0647   -2141.0647 
Loop time of 131.315 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.658 ns/day, 36.477 hours/ns, 7.615 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.11     | 131.11     | 131.11     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034494   | 0.034494   | 0.034494   |   0.0 |  0.03
Output  | 8.5139e-05 | 8.5139e-05 | 8.5139e-05 |   0.0 |  0.00
Modify  | 0.15288    | 0.15288    | 0.15288    |   0.0 |  0.12
Other   |            | 0.02095    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4127.00 ave        4127 max        4127 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      240596.0 ave      240596 max      240596 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 240596
Ave neighs/atom = 120.29800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.886788532152, Press = -0.20736023508259
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  450000    -8383.242    -8383.242   -8470.0366   -8470.0366    335.90408    335.90408    23856.123    23856.123   -2141.0647   -2141.0647 
  451000   -8389.7496   -8389.7496   -8473.7814   -8473.7814    325.21173    325.21173    23832.374    23832.374   -1270.8546   -1270.8546 
Loop time of 131.168 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.659 ns/day, 36.436 hours/ns, 7.624 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 130.96     | 130.96     | 130.96     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034625   | 0.034625   | 0.034625   |   0.0 |  0.03
Output  | 9.8141e-05 | 9.8141e-05 | 9.8141e-05 |   0.0 |  0.00
Modify  | 0.1538     | 0.1538     | 0.1538     |   0.0 |  0.12
Other   |            | 0.02133    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4131.00 ave        4131 max        4131 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238726.0 ave      238726 max      238726 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238726
Ave neighs/atom = 119.36300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.893266766794, Press = 0.13433961149346
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  451000   -8389.7496   -8389.7496   -8473.7814   -8473.7814    325.21173    325.21173    23832.374    23832.374   -1270.8546   -1270.8546 
  452000   -8385.0411   -8385.0411    -8471.852    -8471.852    335.96713    335.96713    23789.483    23789.483    2126.1035    2126.1035 
Loop time of 128.813 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.671 ns/day, 35.782 hours/ns, 7.763 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 128.61     | 128.61     | 128.61     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033856   | 0.033856   | 0.033856   |   0.0 |  0.03
Output  | 8.9908e-05 | 8.9908e-05 | 8.9908e-05 |   0.0 |  0.00
Modify  | 0.14976    | 0.14976    | 0.14976    |   0.0 |  0.12
Other   |            | 0.02077    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4127.00 ave        4127 max        4127 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239262.0 ave      239262 max      239262 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239262
Ave neighs/atom = 119.63100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.898632495416, Press = 0.0160017814577047
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  452000   -8385.0411   -8385.0411    -8471.852    -8471.852    335.96713    335.96713    23789.483    23789.483    2126.1035    2126.1035 
  453000   -8386.5288   -8386.5288   -8471.6541   -8471.6541    329.44356    329.44356    23821.018    23821.018   -187.42523   -187.42523 
Loop time of 155.895 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.554 ns/day, 43.304 hours/ns, 6.415 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 155.64     | 155.64     | 155.64     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041856   | 0.041856   | 0.041856   |   0.0 |  0.03
Output  | 9.3239e-05 | 9.3239e-05 | 9.3239e-05 |   0.0 |  0.00
Modify  | 0.18872    | 0.18872    | 0.18872    |   0.0 |  0.12
Other   |            | 0.02874    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4133.00 ave        4133 max        4133 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239904.0 ave      239904 max      239904 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239904
Ave neighs/atom = 119.95200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.896569476728, Press = -0.102104494701037
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  453000   -8386.5288   -8386.5288   -8471.6541   -8471.6541    329.44356    329.44356    23821.018    23821.018   -187.42523   -187.42523 
  454000   -8388.7742   -8388.7742   -8474.2354   -8474.2354    330.74357    330.74357    23836.791    23836.791   -1481.3236   -1481.3236 
Loop time of 168.008 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.514 ns/day, 46.669 hours/ns, 5.952 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 167.74     | 167.74     | 167.74     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.044241   | 0.044241   | 0.044241   |   0.0 |  0.03
Output  | 8.2242e-05 | 8.2242e-05 | 8.2242e-05 |   0.0 |  0.00
Modify  | 0.19661    | 0.19661    | 0.19661    |   0.0 |  0.12
Other   |            | 0.0276     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4123.00 ave        4123 max        4123 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239458.0 ave      239458 max      239458 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239458
Ave neighs/atom = 119.72900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.893358526396, Press = 0.0472511108330985
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  454000   -8388.7742   -8388.7742   -8474.2354   -8474.2354    330.74357    330.74357    23836.791    23836.791   -1481.3236   -1481.3236 
  455000   -8387.5282   -8387.5282   -8476.2781   -8476.2781    343.47127    343.47127    23774.736    23774.736    2639.3672    2639.3672 
Loop time of 140.995 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.613 ns/day, 39.165 hours/ns, 7.092 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 140.76     | 140.76     | 140.76     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039188   | 0.039188   | 0.039188   |   0.0 |  0.03
Output  | 9.5653e-05 | 9.5653e-05 | 9.5653e-05 |   0.0 |  0.00
Modify  | 0.17136    | 0.17136    | 0.17136    |   0.0 |  0.12
Other   |            | 0.02673    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4129.00 ave        4129 max        4129 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238856.0 ave      238856 max      238856 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238856
Ave neighs/atom = 119.42800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.890201107476, Press = 0.108558769144811
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  455000   -8387.5282   -8387.5282   -8476.2781   -8476.2781    343.47127    343.47127    23774.736    23774.736    2639.3672    2639.3672 
  456000   -8385.3468   -8385.3468   -8471.0584   -8471.0584    331.71276    331.71276    23822.484    23822.484   -46.689517   -46.689517 
Loop time of 150.842 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.573 ns/day, 41.901 hours/ns, 6.629 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 150.58     | 150.58     | 150.58     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.043559   | 0.043559   | 0.043559   |   0.0 |  0.03
Output  | 8.8781e-05 | 8.8781e-05 | 8.8781e-05 |   0.0 |  0.00
Modify  | 0.18693    | 0.18693    | 0.18693    |   0.0 |  0.12
Other   |            | 0.0294     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239902.0 ave      239902 max      239902 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239902
Ave neighs/atom = 119.95100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.890901090878, Press = -0.257566645032992
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  456000   -8385.3468   -8385.3468   -8471.0584   -8471.0584    331.71276    331.71276    23822.484    23822.484   -46.689517   -46.689517 
  457000   -8390.3763   -8390.3763   -8475.6835   -8475.6835    330.14784    330.14784      23842.1      23842.1   -2157.2588   -2157.2588 
Loop time of 130.176 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.664 ns/day, 36.160 hours/ns, 7.682 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 129.97     | 129.97     | 129.97     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034253   | 0.034253   | 0.034253   |   0.0 |  0.03
Output  | 9.1979e-05 | 9.1979e-05 | 9.1979e-05 |   0.0 |  0.00
Modify  | 0.15284    | 0.15284    | 0.15284    |   0.0 |  0.12
Other   |            | 0.02162    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4120.00 ave        4120 max        4120 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239570.0 ave      239570 max      239570 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239570
Ave neighs/atom = 119.78500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.890239148895, Press = 0.0802677367436562
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  457000   -8390.3763   -8390.3763   -8475.6835   -8475.6835    330.14784    330.14784      23842.1      23842.1   -2157.2588   -2157.2588 
  458000   -8385.3271   -8385.3271   -8473.8964   -8473.8964    342.77224    342.77224    23804.162    23804.162    999.60556    999.60556 
Loop time of 131.736 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.656 ns/day, 36.593 hours/ns, 7.591 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 131.52     | 131.52     | 131.52     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034939   | 0.034939   | 0.034939   |   0.0 |  0.03
Output  | 8.5122e-05 | 8.5122e-05 | 8.5122e-05 |   0.0 |  0.00
Modify  | 0.1563     | 0.1563     | 0.1563     |   0.0 |  0.12
Other   |            | 0.02284    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4128.00 ave        4128 max        4128 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238968.0 ave      238968 max      238968 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238968
Ave neighs/atom = 119.48400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.891392517617, Press = 0.0350696893536021
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  458000   -8385.3271   -8385.3271   -8473.8964   -8473.8964    342.77224    342.77224    23804.162    23804.162    999.60556    999.60556 
  459000   -8389.1051   -8389.1051   -8474.2552   -8474.2552    329.53952    329.53952    23815.183    23815.183   -92.777612   -92.777612 
Loop time of 129.122 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.669 ns/day, 35.867 hours/ns, 7.745 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 128.92     | 128.92     | 128.92     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033723   | 0.033723   | 0.033723   |   0.0 |  0.03
Output  | 8.6372e-05 | 8.6372e-05 | 8.6372e-05 |   0.0 |  0.00
Modify  | 0.14896    | 0.14896    | 0.14896    |   0.0 |  0.12
Other   |            | 0.02013    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4121.00 ave        4121 max        4121 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239592.0 ave      239592 max      239592 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239592
Ave neighs/atom = 119.79600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.893084158502, Press = -0.0817261475999676
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  459000   -8389.1051   -8389.1051   -8474.2552   -8474.2552    329.53952    329.53952    23815.183    23815.183   -92.777612   -92.777612 
  460000   -8386.2176   -8386.2176   -8470.4071   -8470.4071    325.82183    325.82183    23833.324    23833.324   -806.47511   -806.47511 
Loop time of 132.411 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.653 ns/day, 36.781 hours/ns, 7.552 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 132.19     | 132.19     | 132.19     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035885   | 0.035885   | 0.035885   |   0.0 |  0.03
Output  | 9.2877e-05 | 9.2877e-05 | 9.2877e-05 |   0.0 |  0.00
Modify  | 0.15881    | 0.15881    | 0.15881    |   0.0 |  0.12
Other   |            | 0.02332    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4124.00 ave        4124 max        4124 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239452.0 ave      239452 max      239452 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239452
Ave neighs/atom = 119.72600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.893335531659, Press = 0.0613325936934728
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  460000   -8386.2176   -8386.2176   -8470.4071   -8470.4071    325.82183    325.82183    23833.324    23833.324   -806.47511   -806.47511 
  461000   -8389.8625   -8389.8625   -8474.4129   -8474.4129    327.21888    327.21888    23785.852    23785.852    1966.8779    1966.8779 
Loop time of 151.083 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.572 ns/day, 41.968 hours/ns, 6.619 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 150.83     | 150.83     | 150.83     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.042804   | 0.042804   | 0.042804   |   0.0 |  0.03
Output  | 8.5705e-05 | 8.5705e-05 | 8.5705e-05 |   0.0 |  0.00
Modify  | 0.18333    | 0.18333    | 0.18333    |   0.0 |  0.12
Other   |            | 0.02807    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4120.00 ave        4120 max        4120 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239272.0 ave      239272 max      239272 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239272
Ave neighs/atom = 119.63600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.887767587482, Press = 0.0328862858553328
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  461000   -8389.8625   -8389.8625   -8474.4129   -8474.4129    327.21888    327.21888    23785.852    23785.852    1966.8779    1966.8779 
  462000   -8388.3162   -8388.3162   -8475.6354   -8475.6354    337.93464    337.93464     23825.01     23825.01   -796.00815   -796.00815 
Loop time of 128.938 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.670 ns/day, 35.816 hours/ns, 7.756 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 128.72     | 128.72     | 128.72     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034331   | 0.034331   | 0.034331   |   0.0 |  0.03
Output  | 8.5319e-05 | 8.5319e-05 | 8.5319e-05 |   0.0 |  0.00
Modify  | 0.15574    | 0.15574    | 0.15574    |   0.0 |  0.12
Other   |            | 0.02477    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239790.0 ave      239790 max      239790 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239790
Ave neighs/atom = 119.89500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.885413794166, Press = -0.14920754864932
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  462000   -8388.3162   -8388.3162   -8475.6354   -8475.6354    337.93464    337.93464     23825.01     23825.01   -796.00815   -796.00815 
  463000   -8385.7563   -8385.7563   -8470.7109   -8470.7109    328.78315    328.78315    23847.409    23847.409   -1744.5827   -1744.5827 
Loop time of 128.811 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.671 ns/day, 35.781 hours/ns, 7.763 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 128.61     | 128.61     | 128.61     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033907   | 0.033907   | 0.033907   |   0.0 |  0.03
Output  | 8.6419e-05 | 8.6419e-05 | 8.6419e-05 |   0.0 |  0.00
Modify  | 0.15012    | 0.15012    | 0.15012    |   0.0 |  0.12
Other   |            | 0.02038    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4131.00 ave        4131 max        4131 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238988.0 ave      238988 max      238988 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238988
Ave neighs/atom = 119.49400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.883573842619, Press = 0.139307068176869
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  463000   -8385.7563   -8385.7563   -8470.7109   -8470.7109    328.78315    328.78315    23847.409    23847.409   -1744.5827   -1744.5827 
  464000   -8391.5915   -8391.5915   -8475.0483   -8475.0483    322.98665    322.98665    23733.995    23733.995    5234.3609    5234.3609 
Loop time of 128.639 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.672 ns/day, 35.733 hours/ns, 7.774 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 128.43     | 128.43     | 128.43     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034139   | 0.034139   | 0.034139   |   0.0 |  0.03
Output  | 9.3511e-05 | 9.3511e-05 | 9.3511e-05 |   0.0 |  0.00
Modify  | 0.15118    | 0.15118    | 0.15118    |   0.0 |  0.12
Other   |            | 0.02076    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4129.00 ave        4129 max        4129 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239016.0 ave      239016 max      239016 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239016
Ave neighs/atom = 119.50800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.881219468501, Press = 0.0851077187838438
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  464000   -8391.5915   -8391.5915   -8475.0483   -8475.0483    322.98665    322.98665    23733.995    23733.995    5234.3609    5234.3609 
  465000   -8386.1858   -8386.1858   -8474.5403   -8474.5403    341.94128    341.94128    23828.971    23828.971   -1074.4839   -1074.4839 
Loop time of 132.582 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.652 ns/day, 36.828 hours/ns, 7.542 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 132.37     | 132.37     | 132.37     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03504    | 0.03504    | 0.03504    |   0.0 |  0.03
Output  | 8.5946e-05 | 8.5946e-05 | 8.5946e-05 |   0.0 |  0.00
Modify  | 0.15698    | 0.15698    | 0.15698    |   0.0 |  0.12
Other   |            | 0.02296    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4128.00 ave        4128 max        4128 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      240552.0 ave      240552 max      240552 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 240552
Ave neighs/atom = 120.27600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.878694570483, Press = -0.126771907720143
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  465000   -8386.1858   -8386.1858   -8474.5403   -8474.5403    341.94128    341.94128    23828.971    23828.971   -1074.4839   -1074.4839 
  466000   -8390.5274   -8390.5274   -8476.1829   -8476.1829    331.49589    331.49589    23825.517    23825.517    -1076.484    -1076.484 
Loop time of 153.818 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.562 ns/day, 42.727 hours/ns, 6.501 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 153.55     | 153.55     | 153.55     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.044698   | 0.044698   | 0.044698   |   0.0 |  0.03
Output  | 0.000112   | 0.000112   | 0.000112   |   0.0 |  0.00
Modify  | 0.19056    | 0.19056    | 0.19056    |   0.0 |  0.12
Other   |            | 0.02968    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4123.00 ave        4123 max        4123 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239142.0 ave      239142 max      239142 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239142
Ave neighs/atom = 119.57100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.874618989121, Press = 0.0495234691543515
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  466000   -8390.5274   -8390.5274   -8476.1829   -8476.1829    331.49589    331.49589    23825.517    23825.517    -1076.484    -1076.484 
  467000   -8388.3721   -8388.3721   -8476.0119   -8476.0119    339.17528    339.17528    23795.786    23795.786    1070.1201    1070.1201 
Loop time of 149.987 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.576 ns/day, 41.663 hours/ns, 6.667 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 149.73     | 149.73     | 149.73     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04249    | 0.04249    | 0.04249    |   0.0 |  0.03
Output  | 9.8224e-05 | 9.8224e-05 | 9.8224e-05 |   0.0 |  0.00
Modify  | 0.18795    | 0.18795    | 0.18795    |   0.0 |  0.13
Other   |            | 0.03026    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4129.00 ave        4129 max        4129 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239122.0 ave      239122 max      239122 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239122
Ave neighs/atom = 119.56100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.877082590203, Press = 0.0618893952514157
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  467000   -8388.3721   -8388.3721   -8476.0119   -8476.0119    339.17528    339.17528    23795.786    23795.786    1070.1201    1070.1201 
  468000   -8391.7719   -8391.7719   -8476.4729   -8476.4729    327.80132    327.80132    23799.296    23799.296    714.34921    714.34921 
Loop time of 130.39 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.663 ns/day, 36.220 hours/ns, 7.669 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 130.18     | 130.18     | 130.18     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03438    | 0.03438    | 0.03438    |   0.0 |  0.03
Output  | 8.1239e-05 | 8.1239e-05 | 8.1239e-05 |   0.0 |  0.00
Modify  | 0.15358    | 0.15358    | 0.15358    |   0.0 |  0.12
Other   |            | 0.02175    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4124.00 ave        4124 max        4124 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239504.0 ave      239504 max      239504 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239504
Ave neighs/atom = 119.75200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.872580011205, Press = -0.118860091732195
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  468000   -8391.7719   -8391.7719   -8476.4729   -8476.4729    327.80132    327.80132    23799.296    23799.296    714.34921    714.34921 
  469000   -8389.5391   -8389.5391   -8474.2411   -8474.2411    327.80556    327.80556     23872.35     23872.35   -4070.8268   -4070.8268 
Loop time of 129.101 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.669 ns/day, 35.861 hours/ns, 7.746 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 128.9      | 128.9      | 128.9      |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033596   | 0.033596   | 0.033596   |   0.0 |  0.03
Output  | 8.3792e-05 | 8.3792e-05 | 8.3792e-05 |   0.0 |  0.00
Modify  | 0.14879    | 0.14879    | 0.14879    |   0.0 |  0.12
Other   |            | 0.02005    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4120.00 ave        4120 max        4120 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239658.0 ave      239658 max      239658 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239658
Ave neighs/atom = 119.82900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.870181008146, Press = 0.0167617057511408
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  469000   -8389.5391   -8389.5391   -8474.2411   -8474.2411    327.80556    327.80556     23872.35     23872.35   -4070.8268   -4070.8268 
  470000   -8384.0279   -8384.0279    -8472.977    -8472.977    344.24233    344.24233    23787.008    23787.008    2241.8721    2241.8721 
Loop time of 154.485 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.559 ns/day, 42.913 hours/ns, 6.473 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 154.23     | 154.23     | 154.23     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041644   | 0.041644   | 0.041644   |   0.0 |  0.03
Output  | 9.3739e-05 | 9.3739e-05 | 9.3739e-05 |   0.0 |  0.00
Modify  | 0.18826    | 0.18826    | 0.18826    |   0.0 |  0.12
Other   |            | 0.02906    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4127.00 ave        4127 max        4127 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238428.0 ave      238428 max      238428 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238428
Ave neighs/atom = 119.21400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.872413277168, Press = 0.202200622372579
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  470000   -8384.0279   -8384.0279    -8472.977    -8472.977    344.24233    344.24233    23787.008    23787.008    2241.8721    2241.8721 
  471000   -8389.4417   -8389.4417   -8474.8844   -8474.8844    330.67209    330.67209    23808.703    23808.703    303.70476    303.70476 
Loop time of 180.468 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.479 ns/day, 50.130 hours/ns, 5.541 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 180.16     | 180.16     | 180.16     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.048585   | 0.048585   | 0.048585   |   0.0 |  0.03
Output  | 9.2574e-05 | 9.2574e-05 | 9.2574e-05 |   0.0 |  0.00
Modify  | 0.22049    | 0.22049    | 0.22049    |   0.0 |  0.12
Other   |            | 0.03451    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4124.00 ave        4124 max        4124 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      240066.0 ave      240066 max      240066 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 240066
Ave neighs/atom = 120.03300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.874152737705, Press = -0.0611180660396621
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  471000   -8389.4417   -8389.4417   -8474.8844   -8474.8844    330.67209    330.67209    23808.703    23808.703    303.70476    303.70476 
  472000   -8386.2959   -8386.2959   -8472.2678   -8472.2678    332.72004    332.72004    23829.006    23829.006   -716.06875   -716.06875 
Loop time of 132.841 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.650 ns/day, 36.900 hours/ns, 7.528 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 132.63     | 132.63     | 132.63     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035286   | 0.035286   | 0.035286   |   0.0 |  0.03
Output  | 8.716e-05  | 8.716e-05  | 8.716e-05  |   0.0 |  0.00
Modify  | 0.15778    | 0.15778    | 0.15778    |   0.0 |  0.12
Other   |            | 0.02259    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4127.00 ave        4127 max        4127 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239568.0 ave      239568 max      239568 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239568
Ave neighs/atom = 119.78400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.869177558587, Press = -0.00836370432762239
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  472000   -8386.2959   -8386.2959   -8472.2678   -8472.2678    332.72004    332.72004    23829.006    23829.006   -716.06875   -716.06875 
  473000   -8388.3192   -8388.3192   -8474.8913   -8474.8913    335.04299    335.04299    23808.631    23808.631    339.68908    339.68908 
Loop time of 128.114 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.674 ns/day, 35.587 hours/ns, 7.806 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 127.91     | 127.91     | 127.91     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033616   | 0.033616   | 0.033616   |   0.0 |  0.03
Output  | 8.3949e-05 | 8.3949e-05 | 8.3949e-05 |   0.0 |  0.00
Modify  | 0.14957    | 0.14957    | 0.14957    |   0.0 |  0.12
Other   |            | 0.02029    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4124.00 ave        4124 max        4124 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239320.0 ave      239320 max      239320 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239320
Ave neighs/atom = 119.66000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.869633033959, Press = 0.124292944675739
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  473000   -8388.3192   -8388.3192   -8474.8913   -8474.8913    335.04299    335.04299    23808.631    23808.631    339.68908    339.68908 
  474000   -8384.5946   -8384.5946   -8473.1589   -8473.1589    342.75303    342.75303    23784.596    23784.596    2453.2026    2453.2026 
Loop time of 128.671 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.671 ns/day, 35.742 hours/ns, 7.772 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 128.47     | 128.47     | 128.47     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033471   | 0.033471   | 0.033471   |   0.0 |  0.03
Output  | 8.5994e-05 | 8.5994e-05 | 8.5994e-05 |   0.0 |  0.00
Modify  | 0.14888    | 0.14888    | 0.14888    |   0.0 |  0.12
Other   |            | 0.02006    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4126.00 ave        4126 max        4126 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239510.0 ave      239510 max      239510 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239510
Ave neighs/atom = 119.75500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.875894675627, Press = -0.118328829860661
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  474000   -8384.5946   -8384.5946   -8473.1589   -8473.1589    342.75303    342.75303    23784.596    23784.596    2453.2026    2453.2026 
  475000   -8389.3988   -8389.3988   -8475.1662   -8475.1662    331.92856    331.92856    23868.796    23868.796   -3821.4174   -3821.4174 
Loop time of 128.496 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.672 ns/day, 35.693 hours/ns, 7.782 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 128.29     | 128.29     | 128.29     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033296   | 0.033296   | 0.033296   |   0.0 |  0.03
Output  | 8.5092e-05 | 8.5092e-05 | 8.5092e-05 |   0.0 |  0.00
Modify  | 0.14877    | 0.14877    | 0.14877    |   0.0 |  0.12
Other   |            | 0.02013    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4133.00 ave        4133 max        4133 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239668.0 ave      239668 max      239668 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239668
Ave neighs/atom = 119.83400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.87725918297, Press = -0.099547215915894
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  475000   -8389.3988   -8389.3988   -8475.1662   -8475.1662    331.92856    331.92856    23868.796    23868.796   -3821.4174   -3821.4174 
  476000   -8386.8808   -8386.8808   -8473.8282   -8473.8282     336.4955     336.4955    23816.751    23816.751   -90.765637   -90.765637 
Loop time of 127.138 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.680 ns/day, 35.316 hours/ns, 7.865 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 126.94     | 126.94     | 126.94     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032952   | 0.032952   | 0.032952   |   0.0 |  0.03
Output  | 8.5954e-05 | 8.5954e-05 | 8.5954e-05 |   0.0 |  0.00
Modify  | 0.14623    | 0.14623    | 0.14623    |   0.0 |  0.12
Other   |            | 0.01966    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4123.00 ave        4123 max        4123 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238548.0 ave      238548 max      238548 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238548
Ave neighs/atom = 119.27400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.873536528285, Press = 0.115854528315652
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  476000   -8386.8808   -8386.8808   -8473.8282   -8473.8282     336.4955     336.4955    23816.751    23816.751   -90.765637   -90.765637 
  477000   -8389.5736   -8389.5736   -8476.1699   -8476.1699    335.13662    335.13662    23804.091    23804.091     497.5132     497.5132 
Loop time of 127.255 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.679 ns/day, 35.349 hours/ns, 7.858 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 127.06     | 127.06     | 127.06     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033009   | 0.033009   | 0.033009   |   0.0 |  0.03
Output  | 8.5718e-05 | 8.5718e-05 | 8.5718e-05 |   0.0 |  0.00
Modify  | 0.1463     | 0.1463     | 0.1463     |   0.0 |  0.11
Other   |            | 0.01976    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4124.00 ave        4124 max        4124 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239280.0 ave      239280 max      239280 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239280
Ave neighs/atom = 119.64000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.870024382074, Press = -0.00216538381381173
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  477000   -8389.5736   -8389.5736   -8476.1699   -8476.1699    335.13662    335.13662    23804.091    23804.091     497.5132     497.5132 
  478000   -8386.2807   -8386.2807   -8471.2003   -8471.2003    328.64757    328.64757    23828.468    23828.468   -557.46488   -557.46488 
Loop time of 263.912 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.327 ns/day, 73.309 hours/ns, 3.789 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 263.5      | 263.5      | 263.5      |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.068931   | 0.068931   | 0.068931   |   0.0 |  0.03
Output  | 0.00014514 | 0.00014514 | 0.00014514 |   0.0 |  0.00
Modify  | 0.30448    | 0.30448    | 0.30448    |   0.0 |  0.12
Other   |            | 0.04154    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4123.00 ave        4123 max        4123 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239490.0 ave      239490 max      239490 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239490
Ave neighs/atom = 119.74500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.870126241015, Press = -0.0151558543227167
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  478000   -8386.2807   -8386.2807   -8471.2003   -8471.2003    328.64757    328.64757    23828.468    23828.468   -557.46488   -557.46488 
  479000   -8389.6099   -8389.6099   -8474.6012   -8474.6012    328.92545    328.92545    23812.253    23812.253    231.89323    231.89323 
Loop time of 263.932 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.327 ns/day, 73.314 hours/ns, 3.789 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 263.52     | 263.52     | 263.52     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.068638   | 0.068638   | 0.068638   |   0.0 |  0.03
Output  | 0.00025046 | 0.00025046 | 0.00025046 |   0.0 |  0.00
Modify  | 0.30377    | 0.30377    | 0.30377    |   0.0 |  0.12
Other   |            | 0.04072    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4124.00 ave        4124 max        4124 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239368.0 ave      239368 max      239368 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239368
Ave neighs/atom = 119.68400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.872243204524, Press = 0.119316665758831
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  479000   -8389.6099   -8389.6099   -8474.6012   -8474.6012    328.92545    328.92545    23812.253    23812.253    231.89323    231.89323 
  480000    -8386.763    -8386.763   -8476.1398   -8476.1398    345.89729    345.89729    23780.812    23780.812     2303.896     2303.896 
Loop time of 264.101 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.327 ns/day, 73.362 hours/ns, 3.786 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 263.69     | 263.69     | 263.69     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.06941    | 0.06941    | 0.06941    |   0.0 |  0.03
Output  | 0.0001353  | 0.0001353  | 0.0001353  |   0.0 |  0.00
Modify  | 0.30382    | 0.30382    | 0.30382    |   0.0 |  0.12
Other   |            | 0.04061    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239416.0 ave      239416 max      239416 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239416
Ave neighs/atom = 119.70800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.874168770227, Press = -0.0722435422721839
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  480000    -8386.763    -8386.763   -8476.1398   -8476.1398    345.89729    345.89729    23780.812    23780.812     2303.896     2303.896 
  481000   -8388.3474   -8388.3474   -8472.1909   -8472.1909    324.48316    324.48316    23856.535    23856.535   -2710.4737   -2710.4737 
Loop time of 264.247 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.327 ns/day, 73.402 hours/ns, 3.784 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 263.83     | 263.83     | 263.83     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.06904    | 0.06904    | 0.06904    |   0.0 |  0.03
Output  | 0.00013811 | 0.00013811 | 0.00013811 |   0.0 |  0.00
Modify  | 0.30255    | 0.30255    | 0.30255    |   0.0 |  0.11
Other   |            | 0.04027    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4126.00 ave        4126 max        4126 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      240106.0 ave      240106 max      240106 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 240106
Ave neighs/atom = 120.05300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.876652134976, Press = -0.0988259749197229
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  481000   -8388.3474   -8388.3474   -8472.1909   -8472.1909    324.48316    324.48316    23856.535    23856.535   -2710.4737   -2710.4737 
  482000   -8387.2642   -8387.2642   -8473.4243   -8473.4243    333.44863    333.44863    23811.858    23811.858    316.02573    316.02573 
Loop time of 264.144 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.327 ns/day, 73.373 hours/ns, 3.786 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 263.73     | 263.73     | 263.73     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.069247   | 0.069247   | 0.069247   |   0.0 |  0.03
Output  | 0.00013584 | 0.00013584 | 0.00013584 |   0.0 |  0.00
Modify  | 0.30376    | 0.30376    | 0.30376    |   0.0 |  0.11
Other   |            | 0.04082    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4132.00 ave        4132 max        4132 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238944.0 ave      238944 max      238944 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238944
Ave neighs/atom = 119.47200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.87563984685, Press = 0.161411921789377
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  482000   -8387.2642   -8387.2642   -8473.4243   -8473.4243    333.44863    333.44863    23811.858    23811.858    316.02573    316.02573 
  483000   -8392.9592   -8392.9592   -8476.3347   -8476.3347    322.67191    322.67191    23793.573    23793.573    984.98502    984.98502 
Loop time of 264.297 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.327 ns/day, 73.416 hours/ns, 3.784 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 263.88     | 263.88     | 263.88     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.069021   | 0.069021   | 0.069021   |   0.0 |  0.03
Output  | 0.00013864 | 0.00013864 | 0.00013864 |   0.0 |  0.00
Modify  | 0.30363    | 0.30363    | 0.30363    |   0.0 |  0.11
Other   |            | 0.04065    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4133.00 ave        4133 max        4133 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239520.0 ave      239520 max      239520 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239520
Ave neighs/atom = 119.76000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.873202295845, Press = -0.0522423729401716
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  483000   -8392.9592   -8392.9592   -8476.3347   -8476.3347    322.67191    322.67191    23793.573    23793.573    984.98502    984.98502 
  484000   -8386.2487   -8386.2487    -8471.453    -8471.453    329.74935    329.74935    23826.873    23826.873   -481.28102   -481.28102 
Loop time of 263.998 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.327 ns/day, 73.333 hours/ns, 3.788 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 263.58     | 263.58     | 263.58     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.068778   | 0.068778   | 0.068778   |   0.0 |  0.03
Output  | 0.00012959 | 0.00012959 | 0.00012959 |   0.0 |  0.00
Modify  | 0.30381    | 0.30381    | 0.30381    |   0.0 |  0.12
Other   |            | 0.0405     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239594.0 ave      239594 max      239594 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239594
Ave neighs/atom = 119.79700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.869046313288, Press = -0.0195294854824467
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  484000   -8386.2487   -8386.2487    -8471.453    -8471.453    329.74935    329.74935    23826.873    23826.873   -481.28102   -481.28102 
  485000    -8389.146    -8389.146   -8475.4648   -8475.4648    334.06262    334.06262    23812.167    23812.167   -7.9855885   -7.9855885 
Loop time of 263.865 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.327 ns/day, 73.296 hours/ns, 3.790 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 263.45     | 263.45     | 263.45     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.068862   | 0.068862   | 0.068862   |   0.0 |  0.03
Output  | 0.00013754 | 0.00013754 | 0.00013754 |   0.0 |  0.00
Modify  | 0.30297    | 0.30297    | 0.30297    |   0.0 |  0.11
Other   |            | 0.04022    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4124.00 ave        4124 max        4124 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239286.0 ave      239286 max      239286 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239286
Ave neighs/atom = 119.64300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.865930836788, Press = 0.030109269556741
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  485000    -8389.146    -8389.146   -8475.4648   -8475.4648    334.06262    334.06262    23812.167    23812.167   -7.9855885   -7.9855885 
  486000   -8388.1838   -8388.1838   -8472.6429   -8472.6429    326.86538    326.86538    23796.791    23796.791     1386.047     1386.047 
Loop time of 263.827 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.327 ns/day, 73.285 hours/ns, 3.790 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 263.42     | 263.42     | 263.42     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.068799   | 0.068799   | 0.068799   |   0.0 |  0.03
Output  | 0.00013833 | 0.00013833 | 0.00013833 |   0.0 |  0.00
Modify  | 0.30252    | 0.30252    | 0.30252    |   0.0 |  0.11
Other   |            | 0.0404     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4126.00 ave        4126 max        4126 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239178.0 ave      239178 max      239178 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239178
Ave neighs/atom = 119.58900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.870594400157, Press = -0.0186877829328595
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  486000   -8388.1838   -8388.1838   -8472.6429   -8472.6429    326.86538    326.86538    23796.791    23796.791     1386.047     1386.047 
  487000   -8388.6265   -8388.6265   -8474.5383   -8474.5383    332.48768    332.48768     23840.78     23840.78   -1872.5086   -1872.5086 
Loop time of 264.066 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.327 ns/day, 73.352 hours/ns, 3.787 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 263.65     | 263.65     | 263.65     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.068797   | 0.068797   | 0.068797   |   0.0 |  0.03
Output  | 0.00013654 | 0.00013654 | 0.00013654 |   0.0 |  0.00
Modify  | 0.30249    | 0.30249    | 0.30249    |   0.0 |  0.11
Other   |            | 0.04025    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239664.0 ave      239664 max      239664 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239664
Ave neighs/atom = 119.83200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.875502276929, Press = -0.0914655303803282
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  487000   -8388.6265   -8388.6265   -8474.5383   -8474.5383    332.48768    332.48768     23840.78     23840.78   -1872.5086   -1872.5086 
  488000   -8391.3871   -8391.3871   -8475.3063   -8475.3063    324.77596    324.77596    23816.067    23816.067   -429.64957   -429.64957 
Loop time of 263.638 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.328 ns/day, 73.233 hours/ns, 3.793 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 263.23     | 263.23     | 263.23     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.068875   | 0.068875   | 0.068875   |   0.0 |  0.03
Output  | 0.00013908 | 0.00013908 | 0.00013908 |   0.0 |  0.00
Modify  | 0.30343    | 0.30343    | 0.30343    |   0.0 |  0.12
Other   |            | 0.0405     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4124.00 ave        4124 max        4124 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238998.0 ave      238998 max      238998 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238998
Ave neighs/atom = 119.49900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.877791095752, Press = 0.175500084040579
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  488000   -8391.3871   -8391.3871   -8475.3063   -8475.3063    324.77596    324.77596    23816.067    23816.067   -429.64957   -429.64957 
  489000    -8386.021    -8386.021   -8472.1921   -8472.1921    333.49101    333.49101    23783.585    23783.585    2458.4387    2458.4387 
Loop time of 263.456 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.328 ns/day, 73.182 hours/ns, 3.796 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 263.04     | 263.04     | 263.04     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.069169   | 0.069169   | 0.069169   |   0.0 |  0.03
Output  | 0.00015151 | 0.00015151 | 0.00015151 |   0.0 |  0.00
Modify  | 0.3033     | 0.3033     | 0.3033     |   0.0 |  0.12
Other   |            | 0.0406     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4123.00 ave        4123 max        4123 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239232.0 ave      239232 max      239232 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239232
Ave neighs/atom = 119.61600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.874287429217, Press = -0.0445879223066332
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  489000    -8386.021    -8386.021   -8472.1921   -8472.1921    333.49101    333.49101    23783.585    23783.585    2458.4387    2458.4387 
  490000    -8388.737    -8388.737   -8473.2178   -8473.2178     326.9491     326.9491    23833.036    23833.036   -1306.9457   -1306.9457 
Loop time of 264.144 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.327 ns/day, 73.373 hours/ns, 3.786 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 263.73     | 263.73     | 263.73     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.06876    | 0.06876    | 0.06876    |   0.0 |  0.03
Output  | 0.00013774 | 0.00013774 | 0.00013774 |   0.0 |  0.00
Modify  | 0.3024     | 0.3024     | 0.3024     |   0.0 |  0.11
Other   |            | 0.04011    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4123.00 ave        4123 max        4123 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239972.0 ave      239972 max      239972 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239972
Ave neighs/atom = 119.98600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.876520470963, Press = -0.0703363697968951
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  490000    -8388.737    -8388.737   -8473.2178   -8473.2178     326.9491     326.9491    23833.036    23833.036   -1306.9457   -1306.9457 
  491000   -8387.0326   -8387.0326   -8475.9563   -8475.9563    344.14376    344.14376    23819.035    23819.035   -533.80928   -533.80928 
Loop time of 264.474 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.327 ns/day, 73.465 hours/ns, 3.781 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 264.06     | 264.06     | 264.06     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.068865   | 0.068865   | 0.068865   |   0.0 |  0.03
Output  | 0.00013771 | 0.00013771 | 0.00013771 |   0.0 |  0.00
Modify  | 0.30304    | 0.30304    | 0.30304    |   0.0 |  0.11
Other   |            | 0.04038    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4129.00 ave        4129 max        4129 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239388.0 ave      239388 max      239388 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239388
Ave neighs/atom = 119.69400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.876427884189, Press = 0.0169053637750634
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  491000   -8387.0326   -8387.0326   -8475.9563   -8475.9563    344.14376    344.14376    23819.035    23819.035   -533.80928   -533.80928 
  492000   -8390.4082   -8390.4082   -8474.7679   -8474.7679    326.48069    326.48069    23805.604    23805.604    422.23134    422.23134 
Loop time of 264.223 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.327 ns/day, 73.395 hours/ns, 3.785 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 263.81     | 263.81     | 263.81     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.068833   | 0.068833   | 0.068833   |   0.0 |  0.03
Output  | 0.00013817 | 0.00013817 | 0.00013817 |   0.0 |  0.00
Modify  | 0.30263    | 0.30263    | 0.30263    |   0.0 |  0.11
Other   |            | 0.04019    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4124.00 ave        4124 max        4124 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239270.0 ave      239270 max      239270 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239270
Ave neighs/atom = 119.63500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.874858896056, Press = -0.0136906382797782
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  492000   -8390.4082   -8390.4082   -8474.7679   -8474.7679    326.48069    326.48069    23805.604    23805.604    422.23134    422.23134 
  493000   -8388.8726   -8388.8726   -8473.8101   -8473.8101    328.71702    328.71702    23815.625    23815.625    12.357852    12.357852 
Loop time of 264.736 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.326 ns/day, 73.538 hours/ns, 3.777 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 264.32     | 264.32     | 264.32     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.068833   | 0.068833   | 0.068833   |   0.0 |  0.03
Output  | 0.00013795 | 0.00013795 | 0.00013795 |   0.0 |  0.00
Modify  | 0.30325    | 0.30325    | 0.30325    |   0.0 |  0.11
Other   |            | 0.04045    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239512.0 ave      239512 max      239512 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239512
Ave neighs/atom = 119.75600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.867596818679, Press = -0.0419692085051811
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  493000   -8388.8726   -8388.8726   -8473.8101   -8473.8101    328.71702    328.71702    23815.625    23815.625    12.357852    12.357852 
  494000   -8384.7192   -8384.7192   -8471.0252   -8471.0252    334.01338    334.01338    23835.441    23835.441   -975.49043   -975.49043 
Loop time of 263.628 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.328 ns/day, 73.230 hours/ns, 3.793 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 263.21     | 263.21     | 263.21     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.068999   | 0.068999   | 0.068999   |   0.0 |  0.03
Output  | 0.0001358  | 0.0001358  | 0.0001358  |   0.0 |  0.00
Modify  | 0.3038     | 0.3038     | 0.3038     |   0.0 |  0.12
Other   |            | 0.04064    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4126.00 ave        4126 max        4126 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239358.0 ave      239358 max      239358 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239358
Ave neighs/atom = 119.67900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.868387950242, Press = 0.0922677160309356
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  494000   -8384.7192   -8384.7192   -8471.0252   -8471.0252    334.01338    334.01338    23835.441    23835.441   -975.49043   -975.49043 
  495000   -8388.1287   -8388.1287    -8473.317    -8473.317    329.68766    329.68766    23765.576    23765.576    3468.4264    3468.4264 
Loop time of 263.722 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.328 ns/day, 73.256 hours/ns, 3.792 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 263.31     | 263.31     | 263.31     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.068777   | 0.068777   | 0.068777   |   0.0 |  0.03
Output  | 0.00013775 | 0.00013775 | 0.00013775 |   0.0 |  0.00
Modify  | 0.30351    | 0.30351    | 0.30351    |   0.0 |  0.12
Other   |            | 0.04058    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4122.00 ave        4122 max        4122 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239106.0 ave      239106 max      239106 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239106
Ave neighs/atom = 119.55300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.867830943397, Press = 0.0320129609167373
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  495000   -8388.1287   -8388.1287    -8473.317    -8473.317    329.68766    329.68766    23765.576    23765.576    3468.4264    3468.4264 
  496000   -8390.0328   -8390.0328   -8475.4566   -8475.4566     330.5986     330.5986     23827.93     23827.93   -1126.0242   -1126.0242 
Loop time of 263.893 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.327 ns/day, 73.304 hours/ns, 3.789 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 263.48     | 263.48     | 263.48     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.068634   | 0.068634   | 0.068634   |   0.0 |  0.03
Output  | 0.00013831 | 0.00013831 | 0.00013831 |   0.0 |  0.00
Modify  | 0.3022     | 0.3022     | 0.3022     |   0.0 |  0.11
Other   |            | 0.0401     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4126.00 ave        4126 max        4126 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      240194.0 ave      240194 max      240194 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 240194
Ave neighs/atom = 120.09700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.870560161412, Press = -0.170434888444901
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  496000   -8390.0328   -8390.0328   -8475.4566   -8475.4566     330.5986     330.5986     23827.93     23827.93   -1126.0242   -1126.0242 
  497000   -8384.6935   -8384.6935   -8472.0589   -8472.0589    338.11322    338.11322    23836.731    23836.731   -1226.9551   -1226.9551 
Loop time of 264.001 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.327 ns/day, 73.334 hours/ns, 3.788 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 263.59     | 263.59     | 263.59     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.068786   | 0.068786   | 0.068786   |   0.0 |  0.03
Output  | 0.00013974 | 0.00013974 | 0.00013974 |   0.0 |  0.00
Modify  | 0.30218    | 0.30218    | 0.30218    |   0.0 |  0.11
Other   |            | 0.04031    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4130.00 ave        4130 max        4130 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239280.0 ave      239280 max      239280 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239280
Ave neighs/atom = 119.64000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.872879526585, Press = 0.0515217000522206
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  497000   -8384.6935   -8384.6935   -8472.0589   -8472.0589    338.11322    338.11322    23836.731    23836.731   -1226.9551   -1226.9551 
  498000   -8389.4413   -8389.4413   -8474.7245   -8474.7245    330.05474    330.05474    23799.878    23799.878    1017.7324    1017.7324 
Loop time of 264.017 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.327 ns/day, 73.338 hours/ns, 3.788 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 263.61     | 263.61     | 263.61     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.068593   | 0.068593   | 0.068593   |   0.0 |  0.03
Output  | 0.00013495 | 0.00013495 | 0.00013495 |   0.0 |  0.00
Modify  | 0.30268    | 0.30268    | 0.30268    |   0.0 |  0.11
Other   |            | 0.04003    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4121.00 ave        4121 max        4121 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239064.0 ave      239064 max      239064 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239064
Ave neighs/atom = 119.53200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.876558588966, Press = 0.00725747349933642
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  498000   -8389.4413   -8389.4413   -8474.7245   -8474.7245    330.05474    330.05474    23799.878    23799.878    1017.7324    1017.7324 
  499000   -8385.5145   -8385.5145   -8474.8814   -8474.8814    345.85886    345.85886    23817.373    23817.373   -100.05956   -100.05956 
Loop time of 264.245 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.327 ns/day, 73.401 hours/ns, 3.784 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 263.83     | 263.83     | 263.83     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.068832   | 0.068832   | 0.068832   |   0.0 |  0.03
Output  | 0.00014719 | 0.00014719 | 0.00014719 |   0.0 |  0.00
Modify  | 0.30266    | 0.30266    | 0.30266    |   0.0 |  0.11
Other   |            | 0.04028    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4130.00 ave        4130 max        4130 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239616.0 ave      239616 max      239616 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239616
Ave neighs/atom = 119.80800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.882502228378, Press = -0.0826424077313716
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  499000   -8385.5145   -8385.5145   -8474.8814   -8474.8814    345.85886    345.85886    23817.373    23817.373   -100.05956   -100.05956 
  500000   -8389.3604   -8389.3604   -8475.6702   -8475.6702     334.0279     334.0279    23826.835    23826.835   -1162.7602   -1162.7602 
Loop time of 263.831 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.327 ns/day, 73.286 hours/ns, 3.790 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 263.42     | 263.42     | 263.42     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.068732   | 0.068732   | 0.068732   |   0.0 |  0.03
Output  | 0.00014808 | 0.00014808 | 0.00014808 |   0.0 |  0.00
Modify  | 0.30304    | 0.30304    | 0.30304    |   0.0 |  0.11
Other   |            | 0.04037    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4122.00 ave        4122 max        4122 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239216.0 ave      239216 max      239216 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239216
Ave neighs/atom = 119.60800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.884024735919, Press = -0.0210131660858602
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  500000   -8389.3604   -8389.3604   -8475.6702   -8475.6702     334.0279     334.0279    23826.835    23826.835   -1162.7602   -1162.7602 
  501000    -8387.413    -8387.413   -8473.8925   -8473.8925    334.68468    334.68468    23804.519    23804.519    670.02162    670.02162 
Loop time of 263.62 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.328 ns/day, 73.228 hours/ns, 3.793 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 263.21     | 263.21     | 263.21     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.06932    | 0.06932    | 0.06932    |   0.0 |  0.03
Output  | 0.00013912 | 0.00013912 | 0.00013912 |   0.0 |  0.00
Modify  | 0.30358    | 0.30358    | 0.30358    |   0.0 |  0.12
Other   |            | 0.04033    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4139.00 ave        4139 max        4139 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239170.0 ave      239170 max      239170 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239170
Ave neighs/atom = 119.58500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.885229610784, Press = 0.0577734827973233
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  501000    -8387.413    -8387.413   -8473.8925   -8473.8925    334.68468    334.68468    23804.519    23804.519    670.02162    670.02162 
  502000   -8386.7584   -8386.7584   -8474.5434   -8474.5434    339.73701    339.73701    23795.626    23795.626    1450.7095    1450.7095 
Loop time of 264.494 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.327 ns/day, 73.470 hours/ns, 3.781 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 264.08     | 264.08     | 264.08     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.069356   | 0.069356   | 0.069356   |   0.0 |  0.03
Output  | 0.00013644 | 0.00013644 | 0.00013644 |   0.0 |  0.00
Modify  | 0.30454    | 0.30454    | 0.30454    |   0.0 |  0.12
Other   |            | 0.04079    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4131.00 ave        4131 max        4131 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239676.0 ave      239676 max      239676 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239676
Ave neighs/atom = 119.83800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.886233446096, Press = -0.175698149197056
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  502000   -8386.7584   -8386.7584   -8474.5434   -8474.5434    339.73701    339.73701    23795.626    23795.626    1450.7095    1450.7095 
  503000   -8389.0312   -8389.0312   -8474.0491   -8474.0491    329.02823    329.02823    23873.993    23873.993   -4090.6772   -4090.6772 
Loop time of 264.665 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.326 ns/day, 73.518 hours/ns, 3.778 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 264.25     | 264.25     | 264.25     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.068798   | 0.068798   | 0.068798   |   0.0 |  0.03
Output  | 0.00013893 | 0.00013893 | 0.00013893 |   0.0 |  0.00
Modify  | 0.3042     | 0.3042     | 0.3042     |   0.0 |  0.11
Other   |            | 0.04054    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4124.00 ave        4124 max        4124 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239706.0 ave      239706 max      239706 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239706
Ave neighs/atom = 119.85300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.888167711801, Press = -0.0445955527919107
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  503000   -8389.0312   -8389.0312   -8474.0491   -8474.0491    329.02823    329.02823    23873.993    23873.993   -4090.6772   -4090.6772 
  504000   -8384.3427   -8384.3427   -8470.8492   -8470.8492    334.78921    334.78921     23801.54     23801.54    1291.4786    1291.4786 
Loop time of 263.876 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.327 ns/day, 73.299 hours/ns, 3.790 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 263.46     | 263.46     | 263.46     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.069423   | 0.069423   | 0.069423   |   0.0 |  0.03
Output  | 0.00016692 | 0.00016692 | 0.00016692 |   0.0 |  0.00
Modify  | 0.30622    | 0.30622    | 0.30622    |   0.0 |  0.12
Other   |            | 0.0414     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4120.00 ave        4120 max        4120 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238544.0 ave      238544 max      238544 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238544
Ave neighs/atom = 119.27200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.893876349351, Press = 0.107671177599404
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  504000   -8384.3427   -8384.3427   -8470.8492   -8470.8492    334.78921    334.78921     23801.54     23801.54    1291.4786    1291.4786 
  505000   -8388.7957   -8388.7957   -8473.3723   -8473.3723    327.32008    327.32008    23797.081    23797.081     1298.191     1298.191 
Loop time of 264.127 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.327 ns/day, 73.368 hours/ns, 3.786 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 263.71     | 263.71     | 263.71     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.069149   | 0.069149   | 0.069149   |   0.0 |  0.03
Output  | 0.0001372  | 0.0001372  | 0.0001372  |   0.0 |  0.00
Modify  | 0.3043     | 0.3043     | 0.3043     |   0.0 |  0.12
Other   |            | 0.0411     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4123.00 ave        4123 max        4123 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239830.0 ave      239830 max      239830 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239830
Ave neighs/atom = 119.91500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.897576887752, Press = -0.100285206980589
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  505000   -8388.7957   -8388.7957   -8473.3723   -8473.3723    327.32008    327.32008    23797.081    23797.081     1298.191     1298.191 
  506000   -8386.9471   -8386.9471   -8473.7782   -8473.7782    336.04512    336.04512    23849.247    23849.247   -2279.6605   -2279.6605 
Loop time of 264.284 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.327 ns/day, 73.412 hours/ns, 3.784 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 263.87     | 263.87     | 263.87     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.069      | 0.069      | 0.069      |   0.0 |  0.03
Output  | 0.00013639 | 0.00013639 | 0.00013639 |   0.0 |  0.00
Modify  | 0.30247    | 0.30247    | 0.30247    |   0.0 |  0.11
Other   |            | 0.04026    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4121.00 ave        4121 max        4121 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239650.0 ave      239650 max      239650 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239650
Ave neighs/atom = 119.82500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.900660997049, Press = -0.0221541346633033
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  506000   -8386.9471   -8386.9471   -8473.7782   -8473.7782    336.04512    336.04512    23849.247    23849.247   -2279.6605   -2279.6605 
  507000   -8387.2052   -8387.2052   -8474.2581   -8474.2581    336.90387    336.90387    23799.155    23799.155    1078.4385    1078.4385 
Loop time of 263.825 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.327 ns/day, 73.285 hours/ns, 3.790 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 263.41     | 263.41     | 263.41     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.068727   | 0.068727   | 0.068727   |   0.0 |  0.03
Output  | 0.00013647 | 0.00013647 | 0.00013647 |   0.0 |  0.00
Modify  | 0.30241    | 0.30241    | 0.30241    |   0.0 |  0.11
Other   |            | 0.04011    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4134.00 ave        4134 max        4134 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238862.0 ave      238862 max      238862 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238862
Ave neighs/atom = 119.43100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.901296790754, Press = 0.122720984184435
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  507000   -8387.2052   -8387.2052   -8474.2581   -8474.2581    336.90387    336.90387    23799.155    23799.155    1078.4385    1078.4385 
  508000   -8393.1799   -8393.1799   -8478.2919   -8478.2919    329.39237    329.39237    23784.322    23784.322    1493.6056    1493.6056 
Loop time of 199.553 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.433 ns/day, 55.431 hours/ns, 5.011 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 199.24     | 199.24     | 199.24     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.052136   | 0.052136   | 0.052136   |   0.0 |  0.03
Output  | 9.0863e-05 | 9.0863e-05 | 9.0863e-05 |   0.0 |  0.00
Modify  | 0.2313     | 0.2313     | 0.2313     |   0.0 |  0.12
Other   |            | 0.03194    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4133.00 ave        4133 max        4133 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239668.0 ave      239668 max      239668 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239668
Ave neighs/atom = 119.83400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.899573329018, Press = -0.180611471273483
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  508000   -8393.1799   -8393.1799   -8478.2919   -8478.2919    329.39237    329.39237    23784.322    23784.322    1493.6056    1493.6056 
  509000   -8387.5379   -8387.5379   -8473.6368   -8473.6368    333.21162    333.21162    23870.962    23870.962   -3775.7746   -3775.7746 
Loop time of 127.459 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.678 ns/day, 35.405 hours/ns, 7.846 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 127.26     | 127.26     | 127.26     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03337    | 0.03337    | 0.03337    |   0.0 |  0.03
Output  | 0.00015571 | 0.00015571 | 0.00015571 |   0.0 |  0.00
Modify  | 0.14822    | 0.14822    | 0.14822    |   0.0 |  0.12
Other   |            | 0.0209     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4128.00 ave        4128 max        4128 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239810.0 ave      239810 max      239810 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239810
Ave neighs/atom = 119.90500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.896763093886, Press = -0.0118323853233815
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  509000   -8387.5379   -8387.5379   -8473.6368   -8473.6368    333.21162    333.21162    23870.962    23870.962   -3775.7746   -3775.7746 
  510000   -8387.5837   -8387.5837   -8473.2776   -8473.2776    331.64432    331.64432    23799.243    23799.243     1321.632     1321.632 
Loop time of 127.034 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.680 ns/day, 35.287 hours/ns, 7.872 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 126.83     | 126.83     | 126.83     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033405   | 0.033405   | 0.033405   |   0.0 |  0.03
Output  | 8.6892e-05 | 8.6892e-05 | 8.6892e-05 |   0.0 |  0.00
Modify  | 0.14822    | 0.14822    | 0.14822    |   0.0 |  0.12
Other   |            | 0.02054    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4124.00 ave        4124 max        4124 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238394.0 ave      238394 max      238394 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238394
Ave neighs/atom = 119.19700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.895264234992, Press = 0.103508805096697
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  510000   -8387.5837   -8387.5837   -8473.2776   -8473.2776    331.64432    331.64432    23799.243    23799.243     1321.632     1321.632 
  511000   -8385.7457   -8385.7457    -8472.484    -8472.484    335.68602    335.68602    23804.449    23804.449     1072.396     1072.396 
Loop time of 127.549 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.677 ns/day, 35.430 hours/ns, 7.840 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 127.35     | 127.35     | 127.35     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033491   | 0.033491   | 0.033491   |   0.0 |  0.03
Output  | 8.4198e-05 | 8.4198e-05 | 8.4198e-05 |   0.0 |  0.00
Modify  | 0.14878    | 0.14878    | 0.14878    |   0.0 |  0.12
Other   |            | 0.02097    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4129.00 ave        4129 max        4129 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239402.0 ave      239402 max      239402 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239402
Ave neighs/atom = 119.70100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.89230094404, Press = -0.0750082137780394
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  511000   -8385.7457   -8385.7457    -8472.484    -8472.484    335.68602    335.68602    23804.449    23804.449     1072.396     1072.396 
  512000   -8389.4144   -8389.4144   -8474.4595   -8474.4595    329.13328    329.13328    23826.785    23826.785   -946.90448   -946.90448 
Loop time of 127.423 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.678 ns/day, 35.395 hours/ns, 7.848 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 127.22     | 127.22     | 127.22     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033218   | 0.033218   | 0.033218   |   0.0 |  0.03
Output  | 8.5089e-05 | 8.5089e-05 | 8.5089e-05 |   0.0 |  0.00
Modify  | 0.14642    | 0.14642    | 0.14642    |   0.0 |  0.11
Other   |            | 0.01975    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4126.00 ave        4126 max        4126 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239596.0 ave      239596 max      239596 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239596
Ave neighs/atom = 119.79800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.892053007481, Press = -0.0267874579068402
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  512000   -8389.4144   -8389.4144   -8474.4595   -8474.4595    329.13328    329.13328    23826.785    23826.785   -946.90448   -946.90448 
  513000   -8387.2469   -8387.2469     -8475.58     -8475.58    341.85837    341.85837    23810.243    23810.243    255.35772    255.35772 
Loop time of 127.3 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.679 ns/day, 35.361 hours/ns, 7.855 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 127.1      | 127.1      | 127.1      |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033304   | 0.033304   | 0.033304   |   0.0 |  0.03
Output  | 8.7318e-05 | 8.7318e-05 | 8.7318e-05 |   0.0 |  0.00
Modify  | 0.14696    | 0.14696    | 0.14696    |   0.0 |  0.12
Other   |            | 0.01982    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4122.00 ave        4122 max        4122 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239266.0 ave      239266 max      239266 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239266
Ave neighs/atom = 119.63300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.890050614383, Press = 0.0242349366559098
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  513000   -8387.2469   -8387.2469     -8475.58     -8475.58    341.85837    341.85837    23810.243    23810.243    255.35772    255.35772 
  514000   -8392.1141   -8392.1141   -8477.4366   -8477.4366    330.20678    330.20678    23789.595    23789.595    1218.4919    1218.4919 
Loop time of 127.312 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.679 ns/day, 35.364 hours/ns, 7.855 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 127.11     | 127.11     | 127.11     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033369   | 0.033369   | 0.033369   |   0.0 |  0.03
Output  | 8.6154e-05 | 8.6154e-05 | 8.6154e-05 |   0.0 |  0.00
Modify  | 0.14821    | 0.14821    | 0.14821    |   0.0 |  0.12
Other   |            | 0.02046    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239382.0 ave      239382 max      239382 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239382
Ave neighs/atom = 119.69100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.883511481607, Press = -0.174706917639117
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  514000   -8392.1141   -8392.1141   -8477.4366   -8477.4366    330.20678    330.20678    23789.595    23789.595    1218.4919    1218.4919 
  515000   -8388.0266   -8388.0266   -8473.7668   -8473.7668    331.82368    331.82368    23867.713    23867.713   -3700.1108   -3700.1108 
Loop time of 127.313 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.679 ns/day, 35.365 hours/ns, 7.855 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 127.11     | 127.11     | 127.11     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033385   | 0.033385   | 0.033385   |   0.0 |  0.03
Output  | 8.6151e-05 | 8.6151e-05 | 8.6151e-05 |   0.0 |  0.00
Modify  | 0.14873    | 0.14873    | 0.14873    |   0.0 |  0.12
Other   |            | 0.0206     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4124.00 ave        4124 max        4124 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239460.0 ave      239460 max      239460 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239460
Ave neighs/atom = 119.73000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.881405872021, Press = -0.043723642886802
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  515000   -8388.0266   -8388.0266   -8473.7668   -8473.7668    331.82368    331.82368    23867.713    23867.713   -3700.1108   -3700.1108 
  516000   -8384.2352   -8384.2352   -8472.1971   -8472.1971    340.42145    340.42145     23804.23     23804.23       1161.7       1161.7 
Loop time of 127.059 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.680 ns/day, 35.294 hours/ns, 7.870 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 126.86     | 126.86     | 126.86     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033228   | 0.033228   | 0.033228   |   0.0 |  0.03
Output  | 8.5166e-05 | 8.5166e-05 | 8.5166e-05 |   0.0 |  0.00
Modify  | 0.14771    | 0.14771    | 0.14771    |   0.0 |  0.12
Other   |            | 0.02018    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238582.0 ave      238582 max      238582 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238582
Ave neighs/atom = 119.29100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.880451893517, Press = 0.0838733500989216
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  516000   -8384.2352   -8384.2352   -8472.1971   -8472.1971    340.42145    340.42145     23804.23     23804.23       1161.7       1161.7 
  517000   -8388.6736   -8388.6736    -8475.718    -8475.718    336.87107    336.87107     23807.01     23807.01    317.37073    317.37073 
Loop time of 127.12 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.680 ns/day, 35.311 hours/ns, 7.867 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 126.92     | 126.92     | 126.92     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033178   | 0.033178   | 0.033178   |   0.0 |  0.03
Output  | 8.9166e-05 | 8.9166e-05 | 8.9166e-05 |   0.0 |  0.00
Modify  | 0.1478     | 0.1478     | 0.1478     |   0.0 |  0.12
Other   |            | 0.0201     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239528.0 ave      239528 max      239528 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239528
Ave neighs/atom = 119.76400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.884128076482, Press = -0.08080452332989
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  517000   -8388.6736   -8388.6736    -8475.718    -8475.718    336.87107    336.87107     23807.01     23807.01    317.37073    317.37073 
  518000   -8385.7284   -8385.7284    -8472.434    -8472.434    335.55954    335.55954    23834.961    23834.961   -1107.0552   -1107.0552 
Loop time of 127.032 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.680 ns/day, 35.287 hours/ns, 7.872 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 126.83     | 126.83     | 126.83     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033421   | 0.033421   | 0.033421   |   0.0 |  0.03
Output  | 9.5681e-05 | 9.5681e-05 | 9.5681e-05 |   0.0 |  0.00
Modify  | 0.1468     | 0.1468     | 0.1468     |   0.0 |  0.12
Other   |            | 0.01986    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4144.00 ave        4144 max        4144 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239390.0 ave      239390 max      239390 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239390
Ave neighs/atom = 119.69500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.891097500273, Press = -0.0426336481386723
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  518000   -8385.7284   -8385.7284    -8472.434    -8472.434    335.55954    335.55954    23834.961    23834.961   -1107.0552   -1107.0552 
  519000    -8390.194    -8390.194   -8477.3655   -8477.3655    337.36288    337.36288     23805.05     23805.05    292.09187    292.09187 
Loop time of 127.128 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.680 ns/day, 35.313 hours/ns, 7.866 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 126.93     | 126.93     | 126.93     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033092   | 0.033092   | 0.033092   |   0.0 |  0.03
Output  | 8.6095e-05 | 8.6095e-05 | 8.6095e-05 |   0.0 |  0.00
Modify  | 0.14692    | 0.14692    | 0.14692    |   0.0 |  0.12
Other   |            | 0.0198     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239192.0 ave      239192 max      239192 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239192
Ave neighs/atom = 119.59600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.893488489249, Press = 0.0178734183728398
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  519000    -8390.194    -8390.194   -8477.3655   -8477.3655    337.36288    337.36288     23805.05     23805.05    292.09187    292.09187 
  520000   -8386.8142   -8386.8142   -8472.0505   -8472.0505     329.8734     329.8734    23817.644    23817.644    71.485533    71.485533 
Loop time of 127.559 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.677 ns/day, 35.433 hours/ns, 7.839 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 127.36     | 127.36     | 127.36     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033105   | 0.033105   | 0.033105   |   0.0 |  0.03
Output  | 8.4742e-05 | 8.4742e-05 | 8.4742e-05 |   0.0 |  0.00
Modify  | 0.14695    | 0.14695    | 0.14695    |   0.0 |  0.12
Other   |            | 0.01983    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4123.00 ave        4123 max        4123 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239298.0 ave      239298 max      239298 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239298
Ave neighs/atom = 119.64900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.892785305647, Press = -0.107245954814398
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  520000   -8386.8142   -8386.8142   -8472.0505   -8472.0505     329.8734     329.8734    23817.644    23817.644    71.485533    71.485533 
  521000   -8389.0786   -8389.0786   -8473.1494   -8473.1494    325.36258    325.36258    23846.021    23846.021   -2087.5099   -2087.5099 
Loop time of 127.088 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.680 ns/day, 35.302 hours/ns, 7.869 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 126.89     | 126.89     | 126.89     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033239   | 0.033239   | 0.033239   |   0.0 |  0.03
Output  | 8.5105e-05 | 8.5105e-05 | 8.5105e-05 |   0.0 |  0.00
Modify  | 0.14666    | 0.14666    | 0.14666    |   0.0 |  0.12
Other   |            | 0.01981    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4132.00 ave        4132 max        4132 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239486.0 ave      239486 max      239486 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239486
Ave neighs/atom = 119.74300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.893813352852, Press = 0.015003826839726
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  521000   -8389.0786   -8389.0786   -8473.1494   -8473.1494    325.36258    325.36258    23846.021    23846.021   -2087.5099   -2087.5099 
  522000   -8390.6925   -8390.6925   -8476.9923   -8476.9923    333.98937    333.98937    23769.945    23769.945    2757.1838    2757.1838 
Loop time of 127.013 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.680 ns/day, 35.281 hours/ns, 7.873 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 126.81     | 126.81     | 126.81     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033138   | 0.033138   | 0.033138   |   0.0 |  0.03
Output  | 8.6115e-05 | 8.6115e-05 | 8.6115e-05 |   0.0 |  0.00
Modify  | 0.14775    | 0.14775    | 0.14775    |   0.0 |  0.12
Other   |            | 0.02028    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4124.00 ave        4124 max        4124 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239006.0 ave      239006 max      239006 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239006
Ave neighs/atom = 119.50300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.893323155677, Press = 0.0961305362366543
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  522000   -8390.6925   -8390.6925   -8476.9923   -8476.9923    333.98937    333.98937    23769.945    23769.945    2757.1838    2757.1838 
  523000   -8389.3329   -8389.3329   -8475.5262   -8475.5262    333.57674    333.57674    23806.507    23806.507    344.80141    344.80141 
Loop time of 137.975 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.626 ns/day, 38.327 hours/ns, 7.248 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 137.75     | 137.75     | 137.75     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.036695   | 0.036695   | 0.036695   |   0.0 |  0.03
Output  | 0.00014637 | 0.00014637 | 0.00014637 |   0.0 |  0.00
Modify  | 0.16311    | 0.16311    | 0.16311    |   0.0 |  0.12
Other   |            | 0.02331    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239862.0 ave      239862 max      239862 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239862
Ave neighs/atom = 119.93100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.89616728976, Press = -0.180879942808214
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  523000   -8389.3329   -8389.3329   -8475.5262   -8475.5262    333.57674    333.57674    23806.507    23806.507    344.80141    344.80141 
  524000   -8383.9259   -8383.9259   -8470.6569   -8470.6569    335.65792    335.65792    23849.983    23849.983    -1818.186    -1818.186 
Loop time of 263.243 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.328 ns/day, 73.123 hours/ns, 3.799 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 262.83     | 262.83     | 262.83     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.068678   | 0.068678   | 0.068678   |   0.0 |  0.03
Output  | 0.00024571 | 0.00024571 | 0.00024571 |   0.0 |  0.00
Modify  | 0.30259    | 0.30259    | 0.30259    |   0.0 |  0.11
Other   |            | 0.04069    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4129.00 ave        4129 max        4129 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239550.0 ave      239550 max      239550 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239550
Ave neighs/atom = 119.77500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.901053776056, Press = 0.00671976480117758
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  524000   -8383.9259   -8383.9259   -8470.6569   -8470.6569    335.65792    335.65792    23849.983    23849.983    -1818.186    -1818.186 
  525000   -8389.7342   -8389.7342   -8475.2667   -8475.2667    331.01979    331.01979    23808.723    23808.723    197.54718    197.54718 
Loop time of 264.053 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.327 ns/day, 73.348 hours/ns, 3.787 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 263.64     | 263.64     | 263.64     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.068946   | 0.068946   | 0.068946   |   0.0 |  0.03
Output  | 0.00016283 | 0.00016283 | 0.00016283 |   0.0 |  0.00
Modify  | 0.30296    | 0.30296    | 0.30296    |   0.0 |  0.11
Other   |            | 0.04043    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4121.00 ave        4121 max        4121 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238950.0 ave      238950 max      238950 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238950
Ave neighs/atom = 119.47500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.904000193659, Press = 0.0209620224008318
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  525000   -8389.7342   -8389.7342   -8475.2667   -8475.2667    331.01979    331.01979    23808.723    23808.723    197.54718    197.54718 
  526000   -8384.9578   -8384.9578   -8471.7269   -8471.7269    335.80529    335.80529    23811.252    23811.252     611.1152     611.1152 
Loop time of 264.092 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.327 ns/day, 73.359 hours/ns, 3.787 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 263.67     | 263.67     | 263.67     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.069061   | 0.069061   | 0.069061   |   0.0 |  0.03
Output  | 0.00015837 | 0.00015837 | 0.00015837 |   0.0 |  0.00
Modify  | 0.30587    | 0.30587    | 0.30587    |   0.0 |  0.12
Other   |            | 0.04231    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4124.00 ave        4124 max        4124 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239432.0 ave      239432 max      239432 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239432
Ave neighs/atom = 119.71600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.906377022146, Press = -0.0536596982990178
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  526000   -8384.9578   -8384.9578   -8471.7269   -8471.7269    335.80529    335.80529    23811.252    23811.252     611.1152     611.1152 
  527000   -8388.7971   -8388.7971   -8474.7231   -8474.7231    332.54275    332.54275    23825.468    23825.468   -778.53023   -778.53023 
Loop time of 264.04 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.327 ns/day, 73.344 hours/ns, 3.787 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 263.62     | 263.62     | 263.62     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0694     | 0.0694     | 0.0694     |   0.0 |  0.03
Output  | 0.00024247 | 0.00024247 | 0.00024247 |   0.0 |  0.00
Modify  | 0.30566    | 0.30566    | 0.30566    |   0.0 |  0.12
Other   |            | 0.04135    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4131.00 ave        4131 max        4131 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239472.0 ave      239472 max      239472 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239472
Ave neighs/atom = 119.73600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.90338288171, Press = -0.0665821868420518
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  527000   -8388.7971   -8388.7971   -8474.7231   -8474.7231    332.54275    332.54275    23825.468    23825.468   -778.53023   -778.53023 
  528000   -8389.5547   -8389.5547   -8473.0564   -8473.0564    323.16022    323.16022    23823.474    23823.474   -524.72718   -524.72718 
Loop time of 263.113 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.328 ns/day, 73.087 hours/ns, 3.801 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 262.7      | 262.7      | 262.7      |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.068572   | 0.068572   | 0.068572   |   0.0 |  0.03
Output  | 0.00014636 | 0.00014636 | 0.00014636 |   0.0 |  0.00
Modify  | 0.30461    | 0.30461    | 0.30461    |   0.0 |  0.12
Other   |            | 0.04121    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4131.00 ave        4131 max        4131 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239012.0 ave      239012 max      239012 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239012
Ave neighs/atom = 119.50600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.901588085583, Press = 0.144639661997667
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  528000   -8389.5547   -8389.5547   -8473.0564   -8473.0564    323.16022    323.16022    23823.474    23823.474   -524.72718   -524.72718 
  529000   -8385.5316   -8385.5316   -8473.5544   -8473.5544    340.65736    340.65736    23760.491    23760.491    3859.3872    3859.3872 
Loop time of 263.864 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.327 ns/day, 73.295 hours/ns, 3.790 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 263.45     | 263.45     | 263.45     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0686     | 0.0686     | 0.0686     |   0.0 |  0.03
Output  | 0.00023272 | 0.00023272 | 0.00023272 |   0.0 |  0.00
Modify  | 0.30302    | 0.30302    | 0.30302    |   0.0 |  0.11
Other   |            | 0.04095    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4127.00 ave        4127 max        4127 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239432.0 ave      239432 max      239432 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239432
Ave neighs/atom = 119.71600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.897919162811, Press = -0.0601889260034755
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  529000   -8385.5316   -8385.5316   -8473.5544   -8473.5544    340.65736    340.65736    23760.491    23760.491    3859.3872    3859.3872 
  530000   -8389.9344   -8389.9344   -8472.7011   -8472.7011    320.31579    320.31579    23834.926    23834.926   -1444.1922   -1444.1922 
Loop time of 255.911 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.338 ns/day, 71.086 hours/ns, 3.908 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 255.51     | 255.51     | 255.51     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.066973   | 0.066973   | 0.066973   |   0.0 |  0.03
Output  | 9.8228e-05 | 9.8228e-05 | 9.8228e-05 |   0.0 |  0.00
Modify  | 0.29385    | 0.29385    | 0.29385    |   0.0 |  0.11
Other   |            | 0.03942    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4129.00 ave        4129 max        4129 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      240248.0 ave      240248 max      240248 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 240248
Ave neighs/atom = 120.12400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.895936123152, Press = -0.131647370152407
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  530000   -8389.9344   -8389.9344   -8472.7011   -8472.7011    320.31579    320.31579    23834.926    23834.926   -1444.1922   -1444.1922 
  531000   -8388.4075   -8388.4075   -8471.3613   -8471.3613    321.03989    321.03989    23822.214    23822.214   -230.51608   -230.51608 
Loop time of 220.329 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.392 ns/day, 61.203 hours/ns, 4.539 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 219.98     | 219.98     | 219.98     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.057231   | 0.057231   | 0.057231   |   0.0 |  0.03
Output  | 0.00014479 | 0.00014479 | 0.00014479 |   0.0 |  0.00
Modify  | 0.2546     | 0.2546     | 0.2546     |   0.0 |  0.12
Other   |            | 0.03512    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4121.00 ave        4121 max        4121 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239026.0 ave      239026 max      239026 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239026
Ave neighs/atom = 119.51300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.897636652766, Press = 0.0489003974654094
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  531000   -8388.4075   -8388.4075   -8471.3613   -8471.3613    321.03989    321.03989    23822.214    23822.214   -230.51608   -230.51608 
  532000   -8387.0867   -8387.0867   -8474.5673   -8474.5673    338.55924    338.55924     23792.62     23792.62     1445.098     1445.098 
Loop time of 263.9 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.327 ns/day, 73.306 hours/ns, 3.789 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 263.49     | 263.49     | 263.49     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.068765   | 0.068765   | 0.068765   |   0.0 |  0.03
Output  | 0.0002371  | 0.0002371  | 0.0002371  |   0.0 |  0.00
Modify  | 0.3046     | 0.3046     | 0.3046     |   0.0 |  0.12
Other   |            | 0.04088    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4131.00 ave        4131 max        4131 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239336.0 ave      239336 max      239336 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239336
Ave neighs/atom = 119.66800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.893920490842, Press = -0.0206826300212058
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  532000   -8387.0867   -8387.0867   -8474.5673   -8474.5673    338.55924    338.55924     23792.62     23792.62     1445.098     1445.098 
  533000   -8391.2843   -8391.2843   -8474.8006   -8474.8006    323.21666    323.21666    23827.389    23827.389   -1094.4895   -1094.4895 
Loop time of 264.485 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.327 ns/day, 73.468 hours/ns, 3.781 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 264.07     | 264.07     | 264.07     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.068967   | 0.068967   | 0.068967   |   0.0 |  0.03
Output  | 0.00016802 | 0.00016802 | 0.00016802 |   0.0 |  0.00
Modify  | 0.30603    | 0.30603    | 0.30603    |   0.0 |  0.12
Other   |            | 0.04102    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4128.00 ave        4128 max        4128 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239856.0 ave      239856 max      239856 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239856
Ave neighs/atom = 119.92800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.89021040175, Press = -0.166535840723679
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  533000   -8391.2843   -8391.2843   -8474.8006   -8474.8006    323.21666    323.21666    23827.389    23827.389   -1094.4895   -1094.4895 
  534000   -8386.2423   -8386.2423   -8474.7295   -8474.7295    342.45478    342.45478    23865.713    23865.713   -3507.7639   -3507.7639 
Loop time of 264.577 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.327 ns/day, 73.494 hours/ns, 3.780 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 264.16     | 264.16     | 264.16     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.069377   | 0.069377   | 0.069377   |   0.0 |  0.03
Output  | 0.00013973 | 0.00013973 | 0.00013973 |   0.0 |  0.00
Modify  | 0.3061     | 0.3061     | 0.3061     |   0.0 |  0.12
Other   |            | 0.04106    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4126.00 ave        4126 max        4126 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239012.0 ave      239012 max      239012 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239012
Ave neighs/atom = 119.50600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.886309259252, Press = 0.273374970259976
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  534000   -8386.2423   -8386.2423   -8474.7295   -8474.7295    342.45478    342.45478    23865.713    23865.713   -3507.7639   -3507.7639 
  535000   -8385.3784   -8385.3784   -8473.7206   -8473.7206    341.89355    341.89355    23771.838    23771.838    3115.4929    3115.4929 
Loop time of 263.999 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.327 ns/day, 73.333 hours/ns, 3.788 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 263.58     | 263.58     | 263.58     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.068871   | 0.068871   | 0.068871   |   0.0 |  0.03
Output  | 0.00014366 | 0.00014366 | 0.00014366 |   0.0 |  0.00
Modify  | 0.30575    | 0.30575    | 0.30575    |   0.0 |  0.12
Other   |            | 0.04107    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4124.00 ave        4124 max        4124 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238640.0 ave      238640 max      238640 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238640
Ave neighs/atom = 119.32000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.884681553625, Press = 0.0369497349719662
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  535000   -8385.3784   -8385.3784   -8473.7206   -8473.7206    341.89355    341.89355    23771.838    23771.838    3115.4929    3115.4929 
  536000   -8388.8613   -8388.8613   -8473.9365   -8473.9365    329.24961    329.24961     23825.01     23825.01   -777.83431   -777.83431 
Loop time of 263.304 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.328 ns/day, 73.140 hours/ns, 3.798 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 262.89     | 262.89     | 262.89     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.068603   | 0.068603   | 0.068603   |   0.0 |  0.03
Output  | 0.00014489 | 0.00014489 | 0.00014489 |   0.0 |  0.00
Modify  | 0.30537    | 0.30537    | 0.30537    |   0.0 |  0.12
Other   |            | 0.04112    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4127.00 ave        4127 max        4127 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239946.0 ave      239946 max      239946 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239946
Ave neighs/atom = 119.97300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.890382889132, Press = -0.125902057335349
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  536000   -8388.8613   -8388.8613   -8473.9365   -8473.9365    329.24961    329.24961     23825.01     23825.01   -777.83431   -777.83431 
  537000   -8384.7493   -8384.7493   -8474.6071   -8474.6071    347.75874    347.75874    23838.473    23838.473    -1635.073    -1635.073 
Loop time of 264.247 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.327 ns/day, 73.402 hours/ns, 3.784 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 263.83     | 263.83     | 263.83     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.069096   | 0.069096   | 0.069096   |   0.0 |  0.03
Output  | 0.00014041 | 0.00014041 | 0.00014041 |   0.0 |  0.00
Modify  | 0.30649    | 0.30649    | 0.30649    |   0.0 |  0.12
Other   |            | 0.04123    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4127.00 ave        4127 max        4127 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239312.0 ave      239312 max      239312 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239312
Ave neighs/atom = 119.65600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.89412314286, Press = 0.058938637038343
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  537000   -8384.7493   -8384.7493   -8474.6071   -8474.6071    347.75874    347.75874    23838.473    23838.473    -1635.073    -1635.073 
  538000   -8386.5207   -8386.5207   -8473.9561   -8473.9561    338.38411    338.38411    23792.947    23792.947    1562.4179    1562.4179 
Loop time of 263.579 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.328 ns/day, 73.216 hours/ns, 3.794 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 263.16     | 263.16     | 263.16     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.068848   | 0.068848   | 0.068848   |   0.0 |  0.03
Output  | 0.00014713 | 0.00014713 | 0.00014713 |   0.0 |  0.00
Modify  | 0.30618    | 0.30618    | 0.30618    |   0.0 |  0.12
Other   |            | 0.04119    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4123.00 ave        4123 max        4123 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238954.0 ave      238954 max      238954 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238954
Ave neighs/atom = 119.47700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.894608388824, Press = 0.0221821452014917
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  538000   -8386.5207   -8386.5207   -8473.9561   -8473.9561    338.38411    338.38411    23792.947    23792.947    1562.4179    1562.4179 
  539000   -8388.9463   -8388.9463   -8473.1139   -8473.1139    325.73737    325.73737     23820.42     23820.42   -272.30185   -272.30185 
Loop time of 178.351 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.484 ns/day, 49.542 hours/ns, 5.607 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 178.07     | 178.07     | 178.07     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.046667   | 0.046667   | 0.046667   |   0.0 |  0.03
Output  | 9.8583e-05 | 9.8583e-05 | 9.8583e-05 |   0.0 |  0.00
Modify  | 0.20707    | 0.20707    | 0.20707    |   0.0 |  0.12
Other   |            | 0.02808    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4129.00 ave        4129 max        4129 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239758.0 ave      239758 max      239758 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239758
Ave neighs/atom = 119.87900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.90121247814, Press = -0.122598477719739
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  539000   -8388.9463   -8388.9463   -8473.1139   -8473.1139    325.73737    325.73737     23820.42     23820.42   -272.30185   -272.30185 
  540000   -8386.3259   -8386.3259    -8474.137    -8474.137    339.83797    339.83797    23856.742    23856.742   -2902.2656   -2902.2656 
Loop time of 127.247 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.679 ns/day, 35.346 hours/ns, 7.859 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 127.05     | 127.05     | 127.05     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03351    | 0.03351    | 0.03351    |   0.0 |  0.03
Output  | 0.00015415 | 0.00015415 | 0.00015415 |   0.0 |  0.00
Modify  | 0.14788    | 0.14788    | 0.14788    |   0.0 |  0.12
Other   |            | 0.02048    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4141.00 ave        4141 max        4141 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239336.0 ave      239336 max      239336 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239336
Ave neighs/atom = 119.66800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.906180642707, Press = 0.115344438332878
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  540000   -8386.3259   -8386.3259    -8474.137    -8474.137    339.83797    339.83797    23856.742    23856.742   -2902.2656   -2902.2656 
  541000   -8389.6432   -8389.6432   -8475.7133   -8475.7133    333.09988    333.09988    23762.834    23762.834     3362.556     3362.556 
Loop time of 127.113 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.680 ns/day, 35.309 hours/ns, 7.867 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 126.91     | 126.91     | 126.91     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033403   | 0.033403   | 0.033403   |   0.0 |  0.03
Output  | 8.9598e-05 | 8.9598e-05 | 8.9598e-05 |   0.0 |  0.00
Modify  | 0.14825    | 0.14825    | 0.14825    |   0.0 |  0.12
Other   |            | 0.02067    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4122.00 ave        4122 max        4122 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238896.0 ave      238896 max      238896 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238896
Ave neighs/atom = 119.44800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.910885362471, Press = 0.0642183975809841
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  541000   -8389.6432   -8389.6432   -8475.7133   -8475.7133    333.09988    333.09988    23762.834    23762.834     3362.556     3362.556 
  542000   -8390.9223   -8390.9223   -8477.3696   -8477.3696    334.55993    334.55993    23820.549    23820.549   -933.24687   -933.24687 
Loop time of 127.484 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.678 ns/day, 35.412 hours/ns, 7.844 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 127.28     | 127.28     | 127.28     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033533   | 0.033533   | 0.033533   |   0.0 |  0.03
Output  | 8.9765e-05 | 8.9765e-05 | 8.9765e-05 |   0.0 |  0.00
Modify  | 0.14964    | 0.14964    | 0.14964    |   0.0 |  0.12
Other   |            | 0.02113    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4133.00 ave        4133 max        4133 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      240316.0 ave      240316 max      240316 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 240316
Ave neighs/atom = 120.15800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.911705415632, Press = -0.131644552539849
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  542000   -8390.9223   -8390.9223   -8477.3696   -8477.3696    334.55993    334.55993    23820.549    23820.549   -933.24687   -933.24687 
  543000   -8387.0379   -8387.0379   -8475.4051   -8475.4051    341.99033    341.99033    23826.551    23826.551   -982.46105   -982.46105 
Loop time of 127.285 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.679 ns/day, 35.357 hours/ns, 7.856 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 127.08     | 127.08     | 127.08     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03325    | 0.03325    | 0.03325    |   0.0 |  0.03
Output  | 7.6615e-05 | 7.6615e-05 | 7.6615e-05 |   0.0 |  0.00
Modify  | 0.1479     | 0.1479     | 0.1479     |   0.0 |  0.12
Other   |            | 0.02035    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239022.0 ave      239022 max      239022 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239022
Ave neighs/atom = 119.51100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.90651447464, Press = 0.0208251339256492
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  543000   -8387.0379   -8387.0379   -8475.4051   -8475.4051    341.99033    341.99033    23826.551    23826.551   -982.46105   -982.46105 
  544000   -8393.5134   -8393.5134   -8474.7656   -8474.7656     314.4545     314.4545     23788.24     23788.24    1472.9772    1472.9772 
Loop time of 127.492 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.678 ns/day, 35.415 hours/ns, 7.844 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 127.29     | 127.29     | 127.29     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033296   | 0.033296   | 0.033296   |   0.0 |  0.03
Output  | 8.5225e-05 | 8.5225e-05 | 8.5225e-05 |   0.0 |  0.00
Modify  | 0.14759    | 0.14759    | 0.14759    |   0.0 |  0.12
Other   |            | 0.02011    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4124.00 ave        4124 max        4124 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239172.0 ave      239172 max      239172 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239172
Ave neighs/atom = 119.58600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.903796433402, Press = 0.00656454419999163
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  544000   -8393.5134   -8393.5134   -8474.7656   -8474.7656     314.4545     314.4545     23788.24     23788.24    1472.9772    1472.9772 
  545000   -8387.5026   -8387.5026   -8472.8477   -8472.8477    330.29428    330.29428    23816.559    23816.559    97.333977    97.333977 
Loop time of 127.362 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.678 ns/day, 35.378 hours/ns, 7.852 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 127.16     | 127.16     | 127.16     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033286   | 0.033286   | 0.033286   |   0.0 |  0.03
Output  | 8.4814e-05 | 8.4814e-05 | 8.4814e-05 |   0.0 |  0.00
Modify  | 0.148      | 0.148      | 0.148      |   0.0 |  0.12
Other   |            | 0.02033    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4123.00 ave        4123 max        4123 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239810.0 ave      239810 max      239810 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239810
Ave neighs/atom = 119.90500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.903084219385, Press = -0.0861094399953751
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  545000   -8387.5026   -8387.5026   -8472.8477   -8472.8477    330.29428    330.29428    23816.559    23816.559    97.333977    97.333977 
  546000   -8385.4883   -8385.4883   -8472.5267   -8472.5267    336.84747    336.84747    23843.858    23843.858   -1773.3049   -1773.3049 
Loop time of 127.18 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.679 ns/day, 35.328 hours/ns, 7.863 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 126.98     | 126.98     | 126.98     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033094   | 0.033094   | 0.033094   |   0.0 |  0.03
Output  | 8.4818e-05 | 8.4818e-05 | 8.4818e-05 |   0.0 |  0.00
Modify  | 0.14634    | 0.14634    | 0.14634    |   0.0 |  0.12
Other   |            | 0.01968    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4130.00 ave        4130 max        4130 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239272.0 ave      239272 max      239272 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239272
Ave neighs/atom = 119.63600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.905404672454, Press = -0.00670824641320174
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  546000   -8385.4883   -8385.4883   -8472.5267   -8472.5267    336.84747    336.84747    23843.858    23843.858   -1773.3049   -1773.3049 
  547000   -8388.1945   -8388.1945   -8472.3155   -8472.3155     325.5572     325.5572    23788.494    23788.494     1898.084     1898.084 
Loop time of 126.829 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.681 ns/day, 35.230 hours/ns, 7.885 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 126.63     | 126.63     | 126.63     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032938   | 0.032938   | 0.032938   |   0.0 |  0.03
Output  | 8.5791e-05 | 8.5791e-05 | 8.5791e-05 |   0.0 |  0.00
Modify  | 0.14659    | 0.14659    | 0.14659    |   0.0 |  0.12
Other   |            | 0.01976    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239046.0 ave      239046 max      239046 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239046
Ave neighs/atom = 119.52300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.911960825467, Press = 0.154361673032283
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  547000   -8388.1945   -8388.1945   -8472.3155   -8472.3155     325.5572     325.5572    23788.494    23788.494     1898.084     1898.084 
  548000   -8384.8628   -8384.8628   -8472.0103   -8472.0103    337.27003    337.27003    23788.881    23788.881    2161.4766    2161.4766 
Loop time of 127.052 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.680 ns/day, 35.292 hours/ns, 7.871 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 126.85     | 126.85     | 126.85     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033168   | 0.033168   | 0.033168   |   0.0 |  0.03
Output  | 8.4766e-05 | 8.4766e-05 | 8.4766e-05 |   0.0 |  0.00
Modify  | 0.14687    | 0.14687    | 0.14687    |   0.0 |  0.12
Other   |            | 0.01981    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4128.00 ave        4128 max        4128 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239866.0 ave      239866 max      239866 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239866
Ave neighs/atom = 119.93300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.914944528449, Press = -0.149329143405513
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  548000   -8384.8628   -8384.8628   -8472.0103   -8472.0103    337.27003    337.27003    23788.881    23788.881    2161.4766    2161.4766 
  549000   -8388.7261   -8388.7261   -8474.7369   -8474.7369    332.87074    332.87074    23831.349    23831.349   -1297.1491   -1297.1491 
Loop time of 127.202 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.679 ns/day, 35.334 hours/ns, 7.861 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 127        | 127        | 127        |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033211   | 0.033211   | 0.033211   |   0.0 |  0.03
Output  | 9.1702e-05 | 9.1702e-05 | 9.1702e-05 |   0.0 |  0.00
Modify  | 0.14696    | 0.14696    | 0.14696    |   0.0 |  0.12
Other   |            | 0.01995    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4126.00 ave        4126 max        4126 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239832.0 ave      239832 max      239832 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239832
Ave neighs/atom = 119.91600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.916290115229, Press = -0.0100775718512812
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  549000   -8388.7261   -8388.7261   -8474.7369   -8474.7369    332.87074    332.87074    23831.349    23831.349   -1297.1491   -1297.1491 
  550000   -8385.8087   -8385.8087   -8474.2129   -8474.2129    342.13361    342.13361    23811.383    23811.383    313.79629    313.79629 
Loop time of 127.215 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.679 ns/day, 35.338 hours/ns, 7.861 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 127.01     | 127.01     | 127.01     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03328    | 0.03328    | 0.03328    |   0.0 |  0.03
Output  | 8.7721e-05 | 8.7721e-05 | 8.7721e-05 |   0.0 |  0.00
Modify  | 0.14806    | 0.14806    | 0.14806    |   0.0 |  0.12
Other   |            | 0.0203     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4130.00 ave        4130 max        4130 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239348.0 ave      239348 max      239348 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239348
Ave neighs/atom = 119.67400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.916899487256, Press = 0.0334053562378631
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  550000   -8385.8087   -8385.8087   -8474.2129   -8474.2129    342.13361    342.13361    23811.383    23811.383    313.79629    313.79629 
  551000   -8386.9674   -8386.9674   -8473.3087   -8473.3087    334.14992    334.14992    23810.453    23810.453    317.93972    317.93972 
Loop time of 126.921 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.681 ns/day, 35.256 hours/ns, 7.879 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 126.72     | 126.72     | 126.72     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033252   | 0.033252   | 0.033252   |   0.0 |  0.03
Output  | 8.5901e-05 | 8.5901e-05 | 8.5901e-05 |   0.0 |  0.00
Modify  | 0.14724    | 0.14724    | 0.14724    |   0.0 |  0.12
Other   |            | 0.02001    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4128.00 ave        4128 max        4128 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239546.0 ave      239546 max      239546 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239546
Ave neighs/atom = 119.77300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.917233685511, Press = -0.0630858728789226
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  551000   -8386.9674   -8386.9674   -8473.3087   -8473.3087    334.14992    334.14992    23810.453    23810.453    317.93972    317.93972 
  552000   -8387.4164   -8387.4164   -8472.5007   -8472.5007    329.28493    329.28493     23845.55     23845.55   -1946.1136   -1946.1136 
Loop time of 127.179 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.679 ns/day, 35.327 hours/ns, 7.863 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 126.98     | 126.98     | 126.98     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033081   | 0.033081   | 0.033081   |   0.0 |  0.03
Output  | 8.6389e-05 | 8.6389e-05 | 8.6389e-05 |   0.0 |  0.00
Modify  | 0.14623    | 0.14623    | 0.14623    |   0.0 |  0.11
Other   |            | 0.01969    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4126.00 ave        4126 max        4126 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239488.0 ave      239488 max      239488 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239488
Ave neighs/atom = 119.74400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.924954975317, Press = -0.0241532762388728
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  552000   -8387.4164   -8387.4164   -8472.5007   -8472.5007    329.28493    329.28493     23845.55     23845.55   -1946.1136   -1946.1136 
  553000   -8387.7499   -8387.7499   -8474.2056   -8474.2056    334.59283    334.59283    23791.335    23791.335    1690.1814    1690.1814 
Loop time of 127.063 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.680 ns/day, 35.295 hours/ns, 7.870 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 126.86     | 126.86     | 126.86     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033263   | 0.033263   | 0.033263   |   0.0 |  0.03
Output  | 8.7062e-05 | 8.7062e-05 | 8.7062e-05 |   0.0 |  0.00
Modify  | 0.14798    | 0.14798    | 0.14798    |   0.0 |  0.12
Other   |            | 0.02024    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4128.00 ave        4128 max        4128 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239020.0 ave      239020 max      239020 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239020
Ave neighs/atom = 119.51000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.923773156051, Press = 0.145793139837015
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  553000   -8387.7499   -8387.7499   -8474.2056   -8474.2056    334.59283    334.59283    23791.335    23791.335    1690.1814    1690.1814 
  554000   -8390.2714   -8390.2714   -8475.1225   -8475.1225    328.38247    328.38247    23789.736    23789.736    1599.5956    1599.5956 
Loop time of 158.237 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.546 ns/day, 43.955 hours/ns, 6.320 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 157.98     | 157.98     | 157.98     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041829   | 0.041829   | 0.041829   |   0.0 |  0.03
Output  | 0.00015663 | 0.00015663 | 0.00015663 |   0.0 |  0.00
Modify  | 0.18527    | 0.18527    | 0.18527    |   0.0 |  0.12
Other   |            | 0.02638    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4126.00 ave        4126 max        4126 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239772.0 ave      239772 max      239772 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239772
Ave neighs/atom = 119.88600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.925531800032, Press = -0.162745425902874
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  554000   -8390.2714   -8390.2714   -8475.1225   -8475.1225    328.38247    328.38247    23789.736    23789.736    1599.5956    1599.5956 
  555000   -8384.5613   -8384.5613   -8471.8137   -8471.8137    337.67577    337.67577    23855.972    23855.972    -2344.799    -2344.799 
Loop time of 140.083 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.617 ns/day, 38.912 hours/ns, 7.139 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 139.86     | 139.86     | 139.86     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.036533   | 0.036533   | 0.036533   |   0.0 |  0.03
Output  | 8.1452e-05 | 8.1452e-05 | 8.1452e-05 |   0.0 |  0.00
Modify  | 0.16149    | 0.16149    | 0.16149    |   0.0 |  0.12
Other   |            | 0.02182    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4126.00 ave        4126 max        4126 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239656.0 ave      239656 max      239656 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239656
Ave neighs/atom = 119.82800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.930005587624, Press = -0.0241509654149071
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  555000   -8384.5613   -8384.5613   -8471.8137   -8471.8137    337.67577    337.67577    23855.972    23855.972    -2344.799    -2344.799 
  556000   -8387.2646   -8387.2646   -8475.4801   -8475.4801    341.40312    341.40312    23800.379    23800.379    911.80164    911.80164 
Loop time of 219.772 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.393 ns/day, 61.048 hours/ns, 4.550 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 219.43     | 219.43     | 219.43     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.05783    | 0.05783    | 0.05783    |   0.0 |  0.03
Output  | 0.00014126 | 0.00014126 | 0.00014126 |   0.0 |  0.00
Modify  | 0.25411    | 0.25411    | 0.25411    |   0.0 |  0.12
Other   |            | 0.03451    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4123.00 ave        4123 max        4123 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238876.0 ave      238876 max      238876 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238876
Ave neighs/atom = 119.43800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.93229884146, Press = 0.0972378723817651
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  556000   -8387.2646   -8387.2646   -8475.4801   -8475.4801    341.40312    341.40312    23800.379    23800.379    911.80164    911.80164 
  557000   -8389.5324   -8389.5324   -8475.7319   -8475.7319    333.60091    333.60091    23799.112    23799.112    940.68102    940.68102 
Loop time of 263.864 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.327 ns/day, 73.296 hours/ns, 3.790 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 263.45     | 263.45     | 263.45     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.068929   | 0.068929   | 0.068929   |   0.0 |  0.03
Output  | 0.00022813 | 0.00022813 | 0.00022813 |   0.0 |  0.00
Modify  | 0.3045     | 0.3045     | 0.3045     |   0.0 |  0.12
Other   |            | 0.04098    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4128.00 ave        4128 max        4128 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239692.0 ave      239692 max      239692 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239692
Ave neighs/atom = 119.84600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.937271080983, Press = -0.114677109242166
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  557000   -8389.5324   -8389.5324   -8475.7319   -8475.7319    333.60091    333.60091    23799.112    23799.112    940.68102    940.68102 
  558000    -8390.127    -8390.127   -8474.5363   -8474.5363    326.67248    326.67248    23846.916    23846.916     -2312.81     -2312.81 
Loop time of 264.165 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.327 ns/day, 73.379 hours/ns, 3.786 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 263.75     | 263.75     | 263.75     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.068863   | 0.068863   | 0.068863   |   0.0 |  0.03
Output  | 0.00013412 | 0.00013412 | 0.00013412 |   0.0 |  0.00
Modify  | 0.30439    | 0.30439    | 0.30439    |   0.0 |  0.12
Other   |            | 0.04103    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4127.00 ave        4127 max        4127 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239462.0 ave      239462 max      239462 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239462
Ave neighs/atom = 119.73100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.936645924979, Press = -0.00539366027739793
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  558000    -8390.127    -8390.127   -8474.5363   -8474.5363    326.67248    326.67248    23846.916    23846.916     -2312.81     -2312.81 
  559000   -8386.6417   -8386.6417   -8473.5523   -8473.5523    336.35291    336.35291    23792.257    23792.257     1751.498     1751.498 
Loop time of 263.866 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.327 ns/day, 73.296 hours/ns, 3.790 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 263.45     | 263.45     | 263.45     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.068927   | 0.068927   | 0.068927   |   0.0 |  0.03
Output  | 0.00013802 | 0.00013802 | 0.00013802 |   0.0 |  0.00
Modify  | 0.30426    | 0.30426    | 0.30426    |   0.0 |  0.12
Other   |            | 0.04087    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4121.00 ave        4121 max        4121 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238902.0 ave      238902 max      238902 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238902
Ave neighs/atom = 119.45100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.936765803945, Press = 0.091078645424274
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  559000   -8386.6417   -8386.6417   -8473.5523   -8473.5523    336.35291    336.35291    23792.257    23792.257     1751.498     1751.498 
  560000   -8390.3781   -8390.3781   -8474.8436   -8474.8436    326.89026    326.89026    23780.056    23780.056    2207.4946    2207.4946 
Loop time of 264.927 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.326 ns/day, 73.591 hours/ns, 3.775 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 264.51     | 264.51     | 264.51     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.068307   | 0.068307   | 0.068307   |   0.0 |  0.03
Output  | 0.0001382  | 0.0001382  | 0.0001382  |   0.0 |  0.00
Modify  | 0.30402    | 0.30402    | 0.30402    |   0.0 |  0.11
Other   |            | 0.04078    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239908.0 ave      239908 max      239908 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239908
Ave neighs/atom = 119.95400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.933656400263, Press = -0.24776627990215
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  560000   -8390.3781   -8390.3781   -8474.8436   -8474.8436    326.89026    326.89026    23780.056    23780.056    2207.4946    2207.4946 
  561000   -8389.0533   -8389.0533   -8473.9904   -8473.9904    328.71539    328.71539    23865.636    23865.636   -3463.9413   -3463.9413 
Loop time of 264.206 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.327 ns/day, 73.391 hours/ns, 3.785 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 263.79     | 263.79     | 263.79     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0686     | 0.0686     | 0.0686     |   0.0 |  0.03
Output  | 0.00015087 | 0.00015087 | 0.00015087 |   0.0 |  0.00
Modify  | 0.30303    | 0.30303    | 0.30303    |   0.0 |  0.11
Other   |            | 0.04052    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4123.00 ave        4123 max        4123 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239976.0 ave      239976 max      239976 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239976
Ave neighs/atom = 119.98800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.934205855668, Press = 0.0122354236810707
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  561000   -8389.0533   -8389.0533   -8473.9904   -8473.9904    328.71539    328.71539    23865.636    23865.636   -3463.9413   -3463.9413 
  562000   -8387.6348   -8387.6348   -8473.9575   -8473.9575    334.07751    334.07751    23799.237    23799.237    1119.3216    1119.3216 
Loop time of 264.248 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.327 ns/day, 73.402 hours/ns, 3.784 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 263.83     | 263.83     | 263.83     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.068657   | 0.068657   | 0.068657   |   0.0 |  0.03
Output  | 0.00015036 | 0.00015036 | 0.00015036 |   0.0 |  0.00
Modify  | 0.3045     | 0.3045     | 0.3045     |   0.0 |  0.12
Other   |            | 0.04104    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4123.00 ave        4123 max        4123 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238614.0 ave      238614 max      238614 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238614
Ave neighs/atom = 119.30700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.928422682461, Press = 0.0794420713043771
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  562000   -8387.6348   -8387.6348   -8473.9575   -8473.9575    334.07751    334.07751    23799.237    23799.237    1119.3216    1119.3216 
  563000   -8388.8063   -8388.8063   -8475.2034   -8475.2034    334.36572    334.36572    23803.874    23803.874    671.90431    671.90431 
Loop time of 238.343 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.363 ns/day, 66.206 hours/ns, 4.196 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 237.97     | 237.97     | 237.97     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.062304   | 0.062304   | 0.062304   |   0.0 |  0.03
Output  | 0.00013768 | 0.00013768 | 0.00013768 |   0.0 |  0.00
Modify  | 0.27465    | 0.27465    | 0.27465    |   0.0 |  0.12
Other   |            | 0.03707    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4134.00 ave        4134 max        4134 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239950.0 ave      239950 max      239950 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239950
Ave neighs/atom = 119.97500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.928921342707, Press = -0.0625116819025154
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  563000   -8388.8063   -8388.8063   -8475.2034   -8475.2034    334.36572    334.36572    23803.874    23803.874    671.90431    671.90431 
  564000   -8385.8715   -8385.8715   -8473.2639   -8473.2639    338.21754    338.21754    23844.768    23844.768   -1886.5354   -1886.5354 
Loop time of 205.856 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.420 ns/day, 57.182 hours/ns, 4.858 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 205.53     | 205.53     | 205.53     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.053829   | 0.053829   | 0.053829   |   0.0 |  0.03
Output  | 9.6875e-05 | 9.6875e-05 | 9.6875e-05 |   0.0 |  0.00
Modify  | 0.23901    | 0.23901    | 0.23901    |   0.0 |  0.12
Other   |            | 0.03302    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4123.00 ave        4123 max        4123 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239586.0 ave      239586 max      239586 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239586
Ave neighs/atom = 119.79300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.930245172786, Press = -0.0153775909117422
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  564000   -8385.8715   -8385.8715   -8473.2639   -8473.2639    338.21754    338.21754    23844.768    23844.768   -1886.5354   -1886.5354 
  565000   -8388.1691   -8388.1691   -8474.6339   -8474.6339    334.62777    334.62777    23786.187    23786.187    1882.1086    1882.1086 
Loop time of 126.885 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.681 ns/day, 35.246 hours/ns, 7.881 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 126.68     | 126.68     | 126.68     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033381   | 0.033381   | 0.033381   |   0.0 |  0.03
Output  | 0.00015984 | 0.00015984 | 0.00015984 |   0.0 |  0.00
Modify  | 0.1489     | 0.1489     | 0.1489     |   0.0 |  0.12
Other   |            | 0.02165    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4122.00 ave        4122 max        4122 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238888.0 ave      238888 max      238888 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238888
Ave neighs/atom = 119.44400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.934189770756, Press = 0.171899407218413
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  565000   -8388.1691   -8388.1691   -8474.6339   -8474.6339    334.62777    334.62777    23786.187    23786.187    1882.1086    1882.1086 
  566000   -8384.5882   -8384.5882    -8473.683    -8473.683     344.8062     344.8062    23786.474    23786.474    2114.3205    2114.3205 
Loop time of 127.372 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.678 ns/day, 35.381 hours/ns, 7.851 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 127.17     | 127.17     | 127.17     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03319    | 0.03319    | 0.03319    |   0.0 |  0.03
Output  | 8.294e-05  | 8.294e-05  | 8.294e-05  |   0.0 |  0.00
Modify  | 0.14901    | 0.14901    | 0.14901    |   0.0 |  0.12
Other   |            | 0.02093    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4123.00 ave        4123 max        4123 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239886.0 ave      239886 max      239886 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239886
Ave neighs/atom = 119.94300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.937399921457, Press = -0.167937017337045
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  566000   -8384.5882   -8384.5882    -8473.683    -8473.683     344.8062     344.8062    23786.474    23786.474    2114.3205    2114.3205 
  567000   -8389.9798   -8389.9798   -8474.1493   -8474.1493    325.74455    325.74455    23848.675    23848.675   -2449.7575   -2449.7575 
Loop time of 127.409 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.678 ns/day, 35.391 hours/ns, 7.849 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 127.21     | 127.21     | 127.21     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033113   | 0.033113   | 0.033113   |   0.0 |  0.03
Output  | 8.4406e-05 | 8.4406e-05 | 8.4406e-05 |   0.0 |  0.00
Modify  | 0.14707    | 0.14707    | 0.14707    |   0.0 |  0.12
Other   |            | 0.01977    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4121.00 ave        4121 max        4121 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239848.0 ave      239848 max      239848 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239848
Ave neighs/atom = 119.92400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.942601082863, Press = 0.00382791096687595
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  567000   -8389.9798   -8389.9798   -8474.1493   -8474.1493    325.74455    325.74455    23848.675    23848.675   -2449.7575   -2449.7575 
  568000   -8384.9447   -8384.9447   -8473.7764   -8473.7764     343.7878     343.7878    23804.423    23804.423    1010.1766    1010.1766 
Loop time of 127.163 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.679 ns/day, 35.323 hours/ns, 7.864 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 126.96     | 126.96     | 126.96     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033105   | 0.033105   | 0.033105   |   0.0 |  0.03
Output  | 8.4668e-05 | 8.4668e-05 | 8.4668e-05 |   0.0 |  0.00
Modify  | 0.14677    | 0.14677    | 0.14677    |   0.0 |  0.12
Other   |            | 0.01966    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238958.0 ave      238958 max      238958 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238958
Ave neighs/atom = 119.47900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.944800182348, Press = 0.106597391063553
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  568000   -8384.9447   -8384.9447   -8473.7764   -8473.7764     343.7878     343.7878    23804.423    23804.423    1010.1766    1010.1766 
  569000   -8391.0098   -8391.0098   -8475.2213   -8475.2213    325.90715    325.90715    23792.374    23792.374    1299.9472    1299.9472 
Loop time of 127.26 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.679 ns/day, 35.350 hours/ns, 7.858 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 127.06     | 127.06     | 127.06     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033136   | 0.033136   | 0.033136   |   0.0 |  0.03
Output  | 8.7374e-05 | 8.7374e-05 | 8.7374e-05 |   0.0 |  0.00
Modify  | 0.1468     | 0.1468     | 0.1468     |   0.0 |  0.12
Other   |            | 0.01972    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4131.00 ave        4131 max        4131 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239708.0 ave      239708 max      239708 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239708
Ave neighs/atom = 119.85400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.944333620692, Press = -0.0814967969711457
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  569000   -8391.0098   -8391.0098   -8475.2213   -8475.2213    325.90715    325.90715    23792.374    23792.374    1299.9472    1299.9472 
  570000   -8387.4232   -8387.4232   -8472.5237   -8472.5237    329.34752    329.34752    23852.346    23852.346   -2508.1751   -2508.1751 
Loop time of 127.284 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.679 ns/day, 35.357 hours/ns, 7.856 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 127.08     | 127.08     | 127.08     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033275   | 0.033275   | 0.033275   |   0.0 |  0.03
Output  | 8.5692e-05 | 8.5692e-05 | 8.5692e-05 |   0.0 |  0.00
Modify  | 0.14776    | 0.14776    | 0.14776    |   0.0 |  0.12
Other   |            | 0.02004    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4130.00 ave        4130 max        4130 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239768.0 ave      239768 max      239768 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239768
Ave neighs/atom = 119.88400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.941523422639, Press = 0.00972404923549272
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  570000   -8387.4232   -8387.4232   -8472.5237   -8472.5237    329.34752    329.34752    23852.346    23852.346   -2508.1751   -2508.1751 
  571000   -8389.4795   -8389.4795   -8476.5461   -8476.5461    336.95675    336.95675    23784.961    23784.961    1741.6194    1741.6194 
Loop time of 127.268 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.679 ns/day, 35.352 hours/ns, 7.857 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 127.07     | 127.07     | 127.07     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033099   | 0.033099   | 0.033099   |   0.0 |  0.03
Output  | 8.6961e-05 | 8.6961e-05 | 8.6961e-05 |   0.0 |  0.00
Modify  | 0.14716    | 0.14716    | 0.14716    |   0.0 |  0.12
Other   |            | 0.01984    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4130.00 ave        4130 max        4130 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238862.0 ave      238862 max      238862 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238862
Ave neighs/atom = 119.43100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.936143102725, Press = 0.178218701322253
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  571000   -8389.4795   -8389.4795   -8476.5461   -8476.5461    336.95675    336.95675    23784.961    23784.961    1741.6194    1741.6194 
  572000   -8390.0516   -8390.0516   -8476.5609   -8476.5609    334.80015    334.80015      23785.4      23785.4    1722.4599    1722.4599 
Loop time of 127.244 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.679 ns/day, 35.346 hours/ns, 7.859 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 127.04     | 127.04     | 127.04     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033253   | 0.033253   | 0.033253   |   0.0 |  0.03
Output  | 8.7175e-05 | 8.7175e-05 | 8.7175e-05 |   0.0 |  0.00
Modify  | 0.14849    | 0.14849    | 0.14849    |   0.0 |  0.12
Other   |            | 0.02033    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4121.00 ave        4121 max        4121 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239654.0 ave      239654 max      239654 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239654
Ave neighs/atom = 119.82700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.936090675712, Press = -0.139987468705288
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  572000   -8390.0516   -8390.0516   -8476.5609   -8476.5609    334.80015    334.80015      23785.4      23785.4    1722.4599    1722.4599 
  573000   -8383.3133   -8383.3133   -8471.3996   -8471.3996    340.90316    340.90316    23847.872    23847.872   -1797.3714   -1797.3714 
Loop time of 127.067 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.680 ns/day, 35.296 hours/ns, 7.870 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 126.86     | 126.86     | 126.86     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033355   | 0.033355   | 0.033355   |   0.0 |  0.03
Output  | 9.0616e-05 | 9.0616e-05 | 9.0616e-05 |   0.0 |  0.00
Modify  | 0.14864    | 0.14864    | 0.14864    |   0.0 |  0.12
Other   |            | 0.02022    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4129.00 ave        4129 max        4129 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239836.0 ave      239836 max      239836 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239836
Ave neighs/atom = 119.91800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.940987756498, Press = -0.0201650480679006
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  573000   -8383.3133   -8383.3133   -8471.3996   -8471.3996    340.90316    340.90316    23847.872    23847.872   -1797.3714   -1797.3714 
  574000   -8388.2553   -8388.2553   -8474.6732   -8474.6732    334.44612    334.44612    23809.797    23809.797    191.12173    191.12173 
Loop time of 127.008 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.680 ns/day, 35.280 hours/ns, 7.874 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 126.81     | 126.81     | 126.81     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033001   | 0.033001   | 0.033001   |   0.0 |  0.03
Output  | 0.0001056  | 0.0001056  | 0.0001056  |   0.0 |  0.00
Modify  | 0.14674    | 0.14674    | 0.14674    |   0.0 |  0.12
Other   |            | 0.01974    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238998.0 ave      238998 max      238998 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238998
Ave neighs/atom = 119.49900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.942606463868, Press = 0.088609598725788
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  574000   -8388.2553   -8388.2553   -8474.6732   -8474.6732    334.44612    334.44612    23809.797    23809.797    191.12173    191.12173 
  575000   -8385.4858   -8385.4858   -8474.0465   -8474.0465    342.73889    342.73889    23804.788    23804.788    897.96446    897.96446 
Loop time of 127.129 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.680 ns/day, 35.314 hours/ns, 7.866 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 126.93     | 126.93     | 126.93     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033167   | 0.033167   | 0.033167   |   0.0 |  0.03
Output  | 8.4724e-05 | 8.4724e-05 | 8.4724e-05 |   0.0 |  0.00
Modify  | 0.14642    | 0.14642    | 0.14642    |   0.0 |  0.12
Other   |            | 0.01973    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4132.00 ave        4132 max        4132 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239388.0 ave      239388 max      239388 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239388
Ave neighs/atom = 119.69400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.948810261373, Press = -0.0190089494066809
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  575000   -8385.4858   -8385.4858   -8474.0465   -8474.0465    342.73889    342.73889    23804.788    23804.788    897.96446    897.96446 
  576000   -8390.9482   -8390.9482   -8474.6533   -8474.6533    323.94733    323.94733    23832.524    23832.524   -1388.5523   -1388.5523 
Loop time of 127.345 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.678 ns/day, 35.374 hours/ns, 7.853 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 127.15     | 127.15     | 127.15     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033259   | 0.033259   | 0.033259   |   0.0 |  0.03
Output  | 8.5159e-05 | 8.5159e-05 | 8.5159e-05 |   0.0 |  0.00
Modify  | 0.14658    | 0.14658    | 0.14658    |   0.0 |  0.12
Other   |            | 0.01969    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4127.00 ave        4127 max        4127 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239424.0 ave      239424 max      239424 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239424
Ave neighs/atom = 119.71200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.947697934047, Press = -0.061616129360986
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  576000   -8390.9482   -8390.9482   -8474.6533   -8474.6533    323.94733    323.94733    23832.524    23832.524   -1388.5523   -1388.5523 
  577000   -8386.7575   -8386.7575   -8475.1784   -8475.1784    342.19789    342.19789    23821.861    23821.861   -512.78836   -512.78836 
Loop time of 127.186 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.679 ns/day, 35.330 hours/ns, 7.862 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 126.99     | 126.99     | 126.99     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033156   | 0.033156   | 0.033156   |   0.0 |  0.03
Output  | 8.4577e-05 | 8.4577e-05 | 8.4577e-05 |   0.0 |  0.00
Modify  | 0.14685    | 0.14685    | 0.14685    |   0.0 |  0.12
Other   |            | 0.01964    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4132.00 ave        4132 max        4132 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238992.0 ave      238992 max      238992 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238992
Ave neighs/atom = 119.49600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.944810534802, Press = 0.222865506544442
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  577000   -8386.7575   -8386.7575   -8475.1784   -8475.1784    342.19789    342.19789    23821.861    23821.861   -512.78836   -512.78836 
  578000   -8391.4815   -8391.4815   -8477.7524   -8477.7524    333.87731    333.87731    23770.823    23770.823    2509.3273    2509.3273 
Loop time of 127.272 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.679 ns/day, 35.353 hours/ns, 7.857 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 127.07     | 127.07     | 127.07     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03359    | 0.03359    | 0.03359    |   0.0 |  0.03
Output  | 8.6811e-05 | 8.6811e-05 | 8.6811e-05 |   0.0 |  0.00
Modify  | 0.15012    | 0.15012    | 0.15012    |   0.0 |  0.12
Other   |            | 0.02095    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239196.0 ave      239196 max      239196 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239196
Ave neighs/atom = 119.59800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.94042724888, Press = -0.0362607595646748
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  578000   -8391.4815   -8391.4815   -8477.7524   -8477.7524    333.87731    333.87731    23770.823    23770.823    2509.3273    2509.3273 
  579000   -8386.2422   -8386.2422   -8475.1723   -8475.1723    344.16867    344.16867    23843.028    23843.028   -1984.6875   -1984.6875 
Loop time of 127.768 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.676 ns/day, 35.491 hours/ns, 7.827 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 127.57     | 127.57     | 127.57     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033216   | 0.033216   | 0.033216   |   0.0 |  0.03
Output  | 8.6928e-05 | 8.6928e-05 | 8.6928e-05 |   0.0 |  0.00
Modify  | 0.14838    | 0.14838    | 0.14838    |   0.0 |  0.12
Other   |            | 0.02025    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4127.00 ave        4127 max        4127 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      240100.0 ave      240100 max      240100 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 240100
Ave neighs/atom = 120.05000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.937680113112, Press = -0.0406896171778352
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  579000   -8386.2422   -8386.2422   -8475.1723   -8475.1723    344.16867    344.16867    23843.028    23843.028   -1984.6875   -1984.6875 
  580000   -8384.7891   -8384.7891   -8470.1892   -8470.1892     330.5072     330.5072    23824.684    23824.684   -171.62812   -171.62812 
Loop time of 127.005 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.680 ns/day, 35.279 hours/ns, 7.874 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 126.8      | 126.8      | 126.8      |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033264   | 0.033264   | 0.033264   |   0.0 |  0.03
Output  | 8.6759e-05 | 8.6759e-05 | 8.6759e-05 |   0.0 |  0.00
Modify  | 0.14791    | 0.14791    | 0.14791    |   0.0 |  0.12
Other   |            | 0.02018    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4124.00 ave        4124 max        4124 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238894.0 ave      238894 max      238894 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238894
Ave neighs/atom = 119.44700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.936593596304, Press = 0.0866243753444353
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  580000   -8384.7891   -8384.7891   -8470.1892   -8470.1892     330.5072     330.5072    23824.684    23824.684   -171.62812   -171.62812 
  581000   -8388.5955   -8388.5955   -8475.2334   -8475.2334    335.29782    335.29782    23799.583    23799.583    913.55053    913.55053 
Loop time of 126.638 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.682 ns/day, 35.177 hours/ns, 7.897 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 126.44     | 126.44     | 126.44     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033161   | 0.033161   | 0.033161   |   0.0 |  0.03
Output  | 8.7033e-05 | 8.7033e-05 | 8.7033e-05 |   0.0 |  0.00
Modify  | 0.14753    | 0.14753    | 0.14753    |   0.0 |  0.12
Other   |            | 0.02017    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4127.00 ave        4127 max        4127 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239636.0 ave      239636 max      239636 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239636
Ave neighs/atom = 119.81800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.942256179518, Press = 0.0162172537426049
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  581000   -8388.5955   -8388.5955   -8475.2334   -8475.2334    335.29782    335.29782    23799.583    23799.583    913.55053    913.55053 
  582000   -8385.7141   -8385.7141   -8471.3496   -8471.3496    331.41852    331.41852    23819.932    23819.932    115.31511    115.31511 
Loop time of 233.434 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.370 ns/day, 64.843 hours/ns, 4.284 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 233.06     | 233.06     | 233.06     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.061436   | 0.061436   | 0.061436   |   0.0 |  0.03
Output  | 0.00015748 | 0.00015748 | 0.00015748 |   0.0 |  0.00
Modify  | 0.2728     | 0.2728     | 0.2728     |   0.0 |  0.12
Other   |            | 0.03831    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4127.00 ave        4127 max        4127 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239648.0 ave      239648 max      239648 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239648
Ave neighs/atom = 119.82400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.944936432231, Press = 0.00449849812222944
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  582000   -8385.7141   -8385.7141   -8471.3496   -8471.3496    331.41852    331.41852    23819.932    23819.932    115.31511    115.31511 
  583000   -8393.8433   -8393.8433   -8474.2803   -8474.2803    311.29935    311.29935    23796.042    23796.042    937.61149    937.61149 
Loop time of 144.765 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.597 ns/day, 40.212 hours/ns, 6.908 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 144.52     | 144.52     | 144.52     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038458   | 0.038458   | 0.038458   |   0.0 |  0.03
Output  | 9.3087e-05 | 9.3087e-05 | 9.3087e-05 |   0.0 |  0.00
Modify  | 0.1747     | 0.1747     | 0.1747     |   0.0 |  0.12
Other   |            | 0.0282     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4121.00 ave        4121 max        4121 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239512.0 ave      239512 max      239512 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239512
Ave neighs/atom = 119.75600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.942000174181, Press = 0.0286896361977254
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  583000   -8393.8433   -8393.8433   -8474.2803   -8474.2803    311.29935    311.29935    23796.042    23796.042    937.61149    937.61149 
  584000   -8386.9287   -8386.9287   -8472.3534   -8472.3534    330.60248    330.60248    23811.874    23811.874    408.13753    408.13753 
Loop time of 127.407 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.678 ns/day, 35.391 hours/ns, 7.849 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 127.21     | 127.21     | 127.21     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033093   | 0.033093   | 0.033093   |   0.0 |  0.03
Output  | 8.4888e-05 | 8.4888e-05 | 8.4888e-05 |   0.0 |  0.00
Modify  | 0.14711    | 0.14711    | 0.14711    |   0.0 |  0.12
Other   |            | 0.01989    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4134.00 ave        4134 max        4134 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239922.0 ave      239922 max      239922 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239922
Ave neighs/atom = 119.96100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.939008096246, Press = -0.0379065344818178
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  584000   -8386.9287   -8386.9287   -8472.3534   -8472.3534    330.60248    330.60248    23811.874    23811.874    408.13753    408.13753 
  585000   -8386.6957   -8386.6957   -8474.4278   -8474.4278    339.53259    339.53259    23866.353    23866.353   -3496.8021   -3496.8021 
Loop time of 127.274 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.679 ns/day, 35.354 hours/ns, 7.857 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 127.07     | 127.07     | 127.07     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033221   | 0.033221   | 0.033221   |   0.0 |  0.03
Output  | 8.2647e-05 | 8.2647e-05 | 8.2647e-05 |   0.0 |  0.00
Modify  | 0.14868    | 0.14868    | 0.14868    |   0.0 |  0.12
Other   |            | 0.02059    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4126.00 ave        4126 max        4126 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239476.0 ave      239476 max      239476 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239476
Ave neighs/atom = 119.73800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.935467291244, Press = 0.0396936597561391
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  585000   -8386.6957   -8386.6957   -8474.4278   -8474.4278    339.53259    339.53259    23866.353    23866.353   -3496.8021   -3496.8021 
  586000    -8389.807    -8389.807   -8474.5991   -8474.5991    328.15417    328.15417     23778.14     23778.14    2451.6827    2451.6827 
Loop time of 127.064 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.680 ns/day, 35.295 hours/ns, 7.870 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 126.86     | 126.86     | 126.86     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033238   | 0.033238   | 0.033238   |   0.0 |  0.03
Output  | 8.6262e-05 | 8.6262e-05 | 8.6262e-05 |   0.0 |  0.00
Modify  | 0.14869    | 0.14869    | 0.14869    |   0.0 |  0.12
Other   |            | 0.02047    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4131.00 ave        4131 max        4131 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238464.0 ave      238464 max      238464 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238464
Ave neighs/atom = 119.23200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.936414712783, Press = 0.116221301159909
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  586000    -8389.807    -8389.807   -8474.5991   -8474.5991    328.15417    328.15417     23778.14     23778.14    2451.6827    2451.6827 
  587000   -8389.2014   -8389.2014   -8475.9027   -8475.9027    335.54312    335.54312    23804.884    23804.884    392.98188    392.98188 
Loop time of 127.482 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.678 ns/day, 35.412 hours/ns, 7.844 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 127.28     | 127.28     | 127.28     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033475   | 0.033475   | 0.033475   |   0.0 |  0.03
Output  | 8.751e-05  | 8.751e-05  | 8.751e-05  |   0.0 |  0.00
Modify  | 0.14855    | 0.14855    | 0.14855    |   0.0 |  0.12
Other   |            | 0.0205     |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4136.00 ave        4136 max        4136 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239886.0 ave      239886 max      239886 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239886
Ave neighs/atom = 119.94300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.929103369298, Press = -0.091662841027408
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  587000   -8389.2014   -8389.2014   -8475.9027   -8475.9027    335.54312    335.54312    23804.884    23804.884    392.98188    392.98188 
  588000    -8385.538    -8385.538   -8473.3841   -8473.3841    339.97372    339.97372    23837.738    23837.738   -1384.1732   -1384.1732 
Loop time of 127.576 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.677 ns/day, 35.438 hours/ns, 7.838 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 127.37     | 127.37     | 127.37     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033282   | 0.033282   | 0.033282   |   0.0 |  0.03
Output  | 8.6058e-05 | 8.6058e-05 | 8.6058e-05 |   0.0 |  0.00
Modify  | 0.14783    | 0.14783    | 0.14783    |   0.0 |  0.12
Other   |            | 0.02008    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4137.00 ave        4137 max        4137 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239740.0 ave      239740 max      239740 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239740
Ave neighs/atom = 119.87000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.929068643791, Press = 0.0105513300211785
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  588000    -8385.538    -8385.538   -8473.3841   -8473.3841    339.97372    339.97372    23837.738    23837.738   -1384.1732   -1384.1732 
  589000   -8387.8724   -8387.8724   -8474.0521   -8474.0521    333.52444    333.52444    23806.473    23806.473    598.95663    598.95663 
Loop time of 127.097 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.680 ns/day, 35.305 hours/ns, 7.868 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 126.9      | 126.9      | 126.9      |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033122   | 0.033122   | 0.033122   |   0.0 |  0.03
Output  | 8.3839e-05 | 8.3839e-05 | 8.3839e-05 |   0.0 |  0.00
Modify  | 0.14649    | 0.14649    | 0.14649    |   0.0 |  0.12
Other   |            | 0.01966    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4129.00 ave        4129 max        4129 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239114.0 ave      239114 max      239114 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239114
Ave neighs/atom = 119.55700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.934712469307, Press = 0.0379362958205265
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  589000   -8387.8724   -8387.8724   -8474.0521   -8474.0521    333.52444    333.52444    23806.473    23806.473    598.95663    598.95663 
  590000   -8390.5143   -8390.5143   -8476.8598   -8476.8598    334.16579    334.16579    23806.142    23806.142     320.8061     320.8061 
Loop time of 127.099 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.680 ns/day, 35.305 hours/ns, 7.868 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 126.9      | 126.9      | 126.9      |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033125   | 0.033125   | 0.033125   |   0.0 |  0.03
Output  | 8.4252e-05 | 8.4252e-05 | 8.4252e-05 |   0.0 |  0.00
Modify  | 0.1475     | 0.1475     | 0.1475     |   0.0 |  0.12
Other   |            | 0.01998    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4124.00 ave        4124 max        4124 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239698.0 ave      239698 max      239698 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239698
Ave neighs/atom = 119.84900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.935968603767, Press = -0.040883638487592
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  590000   -8390.5143   -8390.5143   -8476.8598   -8476.8598    334.16579    334.16579    23806.142    23806.142     320.8061     320.8061 
  591000   -8385.6029   -8385.6029    -8473.984    -8473.984    342.04384    342.04384    23833.538    23833.538   -1059.9681   -1059.9681 
Loop time of 127.347 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.678 ns/day, 35.374 hours/ns, 7.853 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 127.15     | 127.15     | 127.15     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033092   | 0.033092   | 0.033092   |   0.0 |  0.03
Output  | 8.3452e-05 | 8.3452e-05 | 8.3452e-05 |   0.0 |  0.00
Modify  | 0.14795    | 0.14795    | 0.14795    |   0.0 |  0.12
Other   |            | 0.02008    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4120.00 ave        4120 max        4120 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239362.0 ave      239362 max      239362 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239362
Ave neighs/atom = 119.68100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.931909481106, Press = -0.00123228430574987
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  591000   -8385.6029   -8385.6029    -8473.984    -8473.984    342.04384    342.04384    23833.538    23833.538   -1059.9681   -1059.9681 
  592000   -8389.7245   -8389.7245   -8474.5196   -8474.5196    328.16565    328.16565    23808.072    23808.072    403.66417    403.66417 
Loop time of 127.294 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.679 ns/day, 35.359 hours/ns, 7.856 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 127.09     | 127.09     | 127.09     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033229   | 0.033229   | 0.033229   |   0.0 |  0.03
Output  | 8.4814e-05 | 8.4814e-05 | 8.4814e-05 |   0.0 |  0.00
Modify  | 0.14794    | 0.14794    | 0.14794    |   0.0 |  0.12
Other   |            | 0.02001    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4127.00 ave        4127 max        4127 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239164.0 ave      239164 max      239164 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239164
Ave neighs/atom = 119.58200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.930193986817, Press = 0.0564391291417884
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  592000   -8389.7245   -8389.7245   -8474.5196   -8474.5196    328.16565    328.16565    23808.072    23808.072    403.66417    403.66417 
  593000   -8386.5778   -8386.5778   -8474.0698   -8474.0698    338.60304    338.60304    23786.676    23786.676    2038.8175    2038.8175 
Loop time of 201.39 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.429 ns/day, 55.942 hours/ns, 4.965 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 201.07     | 201.07     | 201.07     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.052599   | 0.052599   | 0.052599   |   0.0 |  0.03
Output  | 8.6906e-05 | 8.6906e-05 | 8.6906e-05 |   0.0 |  0.00
Modify  | 0.23335    | 0.23335    | 0.23335    |   0.0 |  0.12
Other   |            | 0.03192    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4133.00 ave        4133 max        4133 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239472.0 ave      239472 max      239472 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239472
Ave neighs/atom = 119.73600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.931458850764, Press = -0.112448016984859
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  593000   -8386.5778   -8386.5778   -8474.0698   -8474.0698    338.60304    338.60304    23786.676    23786.676    2038.8175    2038.8175 
  594000    -8391.095    -8391.095   -8475.0275   -8475.0275    324.82764    324.82764     23867.02     23867.02    -3796.563    -3796.563 
Loop time of 127.559 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.677 ns/day, 35.433 hours/ns, 7.840 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 127.35     | 127.35     | 127.35     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033861   | 0.033861   | 0.033861   |   0.0 |  0.03
Output  | 7.5945e-05 | 7.5945e-05 | 7.5945e-05 |   0.0 |  0.00
Modify  | 0.15191    | 0.15191    | 0.15191    |   0.0 |  0.12
Other   |            | 0.02297    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4129.00 ave        4129 max        4129 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239860.0 ave      239860 max      239860 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239860
Ave neighs/atom = 119.93000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.931891933944, Press = -0.0416323198918422
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  594000    -8391.095    -8391.095   -8475.0275   -8475.0275    324.82764    324.82764     23867.02     23867.02    -3796.563    -3796.563 
  595000   -8388.4288   -8388.4288   -8473.6537   -8473.6537    329.82887    329.82887    23799.639    23799.639     1061.139     1061.139 
Loop time of 127.284 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.679 ns/day, 35.357 hours/ns, 7.856 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 127.08     | 127.08     | 127.08     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033335   | 0.033335   | 0.033335   |   0.0 |  0.03
Output  | 8.3816e-05 | 8.3816e-05 | 8.3816e-05 |   0.0 |  0.00
Modify  | 0.14848    | 0.14848    | 0.14848    |   0.0 |  0.12
Other   |            | 0.02022    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4128.00 ave        4128 max        4128 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      238594.0 ave      238594 max      238594 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238594
Ave neighs/atom = 119.29700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.93443043545, Press = 0.100713356077466
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  595000   -8388.4288   -8388.4288   -8473.6537   -8473.6537    329.82887    329.82887    23799.639    23799.639     1061.139     1061.139 
  596000   -8386.6171   -8386.6171    -8473.777    -8473.777    337.31811    337.31811    23804.837    23804.837    856.00788    856.00788 
Loop time of 127.427 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.678 ns/day, 35.397 hours/ns, 7.848 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 127.23     | 127.23     | 127.23     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033256   | 0.033256   | 0.033256   |   0.0 |  0.03
Output  | 8.7074e-05 | 8.7074e-05 | 8.7074e-05 |   0.0 |  0.00
Modify  | 0.14775    | 0.14775    | 0.14775    |   0.0 |  0.12
Other   |            | 0.02013    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239788.0 ave      239788 max      239788 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239788
Ave neighs/atom = 119.89400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.937732578125, Press = -0.0689456488150676
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  596000   -8386.6171   -8386.6171    -8473.777    -8473.777    337.31811    337.31811    23804.837    23804.837    856.00788    856.00788 
  597000   -8386.4918   -8386.4918   -8472.3342   -8472.3342    332.21891    332.21891    23835.542    23835.542   -1078.4469   -1078.4469 
Loop time of 136.439 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.633 ns/day, 37.900 hours/ns, 7.329 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 136.22     | 136.22     | 136.22     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035366   | 0.035366   | 0.035366   |   0.0 |  0.03
Output  | 8.3658e-05 | 8.3658e-05 | 8.3658e-05 |   0.0 |  0.00
Modify  | 0.15856    | 0.15856    | 0.15856    |   0.0 |  0.12
Other   |            | 0.02167    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239742.0 ave      239742 max      239742 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239742
Ave neighs/atom = 119.87100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.944246385913, Press = -0.0274793176914783
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  597000   -8386.4918   -8386.4918   -8472.3342   -8472.3342    332.21891    332.21891    23835.542    23835.542   -1078.4469   -1078.4469 
  598000   -8387.6711   -8387.6711   -8475.2653   -8475.2653     338.9984     338.9984    23809.419    23809.419    308.90851    308.90851 
Loop time of 126.848 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.681 ns/day, 35.235 hours/ns, 7.883 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 126.65     | 126.65     | 126.65     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033021   | 0.033021   | 0.033021   |   0.0 |  0.03
Output  | 8.3978e-05 | 8.3978e-05 | 8.3978e-05 |   0.0 |  0.00
Modify  | 0.14698    | 0.14698    | 0.14698    |   0.0 |  0.12
Other   |            | 0.01986    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4125.00 ave        4125 max        4125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239248.0 ave      239248 max      239248 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239248
Ave neighs/atom = 119.62400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.945746512006, Press = 0.100131481739888
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  598000   -8387.6711   -8387.6711   -8475.2653   -8475.2653     338.9984     338.9984    23809.419    23809.419    308.90851    308.90851 
  599000   -8388.5921   -8388.5921   -8475.5627   -8475.5627     336.5854     336.5854      23756.9      23756.9    3717.7603    3717.7603 
Loop time of 126.652 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.682 ns/day, 35.181 hours/ns, 7.896 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 126.45     | 126.45     | 126.45     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033157   | 0.033157   | 0.033157   |   0.0 |  0.03
Output  | 8.5189e-05 | 8.5189e-05 | 8.5189e-05 |   0.0 |  0.00
Modify  | 0.14775    | 0.14775    | 0.14775    |   0.0 |  0.12
Other   |            | 0.02026    |            |       |  0.02

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4121.00 ave        4121 max        4121 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      239412.0 ave      239412 max      239412 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 239412
Ave neighs/atom = 119.70600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
jump SELF break

# Write final averaged volume to file if temperature and volume have converged; otherwise wirte a
# flag to indicate non-convergence.
variable      myStep equal step
if "${myStep} < 2000000" then "print '${V}'  file output/vol_T333.15.out"  else  "print 'not_converged'  file output/vol_T333.15.out"
print '${V}'  file output/vol_T333.15.out
23815.2382938132

print "LAMMPS calculation completed"
LAMMPS calculation completed
quit 0