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

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

# create a supercell with cubic lattice (fcc, bcc, sc, or diamond)
# using 10*10*10 conventional (orthogonal) unit cells
variable latticeconst_converted equal 3.5670029968023296*${_u_distance}
variable latticeconst_converted equal 3.5670029968023296*1
lattice       diamond  ${latticeconst_converted}
lattice       diamond  3.56700299680233
Lattice spacing in x,y,z = 3.5670030 3.5670030 3.5670030
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 (35.670030 35.670030 35.670030)
  1 by 1 by 1 MPI processor grid
create_atoms  1 box
Created 8000 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (35.670030 35.670030 35.670030)
  create_atoms CPU = 0.004 seconds

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

kim_interactions C

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

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


mass          1 ${mass_converted}
mass          1 12.0107

# initial volume
variable      v equal vol        # assign formula
variable      V0 equal ${v}    # evaluate initial value
variable      V0 equal 45384.7996524405    
variable      V0_metal equal ${V0}/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 45384.7996524405/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 45384.7996524405/(1*${_u_distance}*${_u_distance})
variable      V0_metal equal 45384.7996524405/(1*1*${_u_distance})
variable      V0_metal equal 45384.7996524405/(1*1*1)
variable      V0_metal_times1000 equal ${V0_metal}*1000
variable      V0_metal_times1000 equal 45384.7996524405*1000

print "Initial system volume: ${V0_metal} Angstroms^3"
Initial system volume: 45384.7996524405 Angstroms^3

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

variable temp_converted equal 313.15*${_u_temperature}
variable temp_converted equal 313.15*1
variable Tdamp_converted equal 0.1*${_u_time}
variable Tdamp_converted equal 0.1*1
variable press_converted equal 0.0*${_u_pressure}
variable press_converted equal 0.0*1
variable Pdamp_converted equal 1*${_u_time}
variable Pdamp_converted equal 1*1

# create initial velocities consistent with the chosen temperature
velocity      all create ${temp_converted} 17 mom yes rot yes
velocity      all create 313.15 17 mom yes rot yes

# set NPT ensemble for all atoms
fix           ensemble all npt temp ${temp_converted} ${temp_converted} ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 313.15 ${temp_converted} ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 313.15 313.15 ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 313.15 313.15 0.1               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 313.15 313.15 0.1               iso 0 ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 313.15 313.15 0.1               iso 0 0 ${Pdamp_converted}
fix           ensemble all npt temp 313.15 313.15 0.1               iso 0 0 1

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

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

# set error bounds for temperature and pressure in original metal units (K and bar)
variable      T_low equal  "313.15 - 0.2"
variable      T_up  equal  "313.15 + 0.2"
variable      P_low equal  "0.0 - 0.2"
variable      P_up  equal  "0.0 + 0.2"

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

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

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

Your simulation uses code contributions which should be cited:

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

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

- OpenKIM potential: https://openkim.org/cite/MO_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 = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.56 | 14.56 | 14.56 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
       0   -58444.217   -58444.217   -58767.999   -58767.999       313.15       313.15      45384.8      45384.8    7620.1058    7620.1058 
    1000   -58089.058   -58089.058   -58425.401   -58425.401    325.29873    325.29873    45731.688    45731.688   -3762.3787   -3762.3787 
Loop time of 808.954 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.107 ns/day, 224.709 hours/ns, 1.236 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 807.45     | 807.45     | 807.45     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.21302    | 0.21302    | 0.21302    |   0.0 |  0.03
Output  | 0.0002756  | 0.0002756  | 0.0002756  |   0.0 |  0.00
Modify  | 1.1262     | 1.1262     | 1.1262     |   0.0 |  0.14
Other   |            | 0.1668     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19200e+06 ave   2.192e+06 max   2.192e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2192000
Ave neighs/atom = 274.00000
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 = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    1000   -58089.058   -58089.058   -58425.401   -58425.401    325.29873    325.29873    45731.688    45731.688   -3762.3787   -3762.3787 
    2000   -58122.901   -58122.901   -58456.539   -58456.539    322.68309    322.68309    45657.991    45657.991     976.0698     976.0698 
Loop time of 797.439 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.108 ns/day, 221.511 hours/ns, 1.254 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 795.95     | 795.95     | 795.95     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.20971    | 0.20971    | 0.20971    |   0.0 |  0.03
Output  | 0.00027975 | 0.00027975 | 0.00027975 |   0.0 |  0.00
Modify  | 1.1104     | 1.1104     | 1.1104     |   0.0 |  0.14
Other   |            | 0.1702     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19191e+06 ave 2.19191e+06 max 2.19191e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191910
Ave neighs/atom = 273.98875
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    2000   -58122.901   -58122.901   -58456.539   -58456.539    322.68309    322.68309    45657.991    45657.991     976.0698     976.0698 
    3000   -58108.272   -58108.272   -58432.569   -58432.569    313.64826    313.64826    45691.677    45691.677   -869.98647   -869.98647 
Loop time of 678.36 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.127 ns/day, 188.433 hours/ns, 1.474 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 677.06     | 677.06     | 677.06     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.18021    | 0.18021    | 0.18021    |   0.0 |  0.03
Output  | 0.00019574 | 0.00019574 | 0.00019574 |   0.0 |  0.00
Modify  | 0.96571    | 0.96571    | 0.96571    |   0.0 |  0.14
Other   |            | 0.1541     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19197e+06 ave 2.19197e+06 max 2.19197e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191970
Ave neighs/atom = 273.99625
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    3000   -58108.272   -58108.272   -58432.569   -58432.569    313.64826    313.64826    45691.677    45691.677   -869.98647   -869.98647 
    4000   -58111.694   -58111.694   -58423.899   -58423.899    301.95316    301.95316    45671.192    45671.192    1141.0768    1141.0768 
Loop time of 432.386 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.200 ns/day, 120.107 hours/ns, 2.313 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 431.54     | 431.54     | 431.54     |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11812    | 0.11812    | 0.11812    |   0.0 |  0.03
Output  | 0.00029855 | 0.00029855 | 0.00029855 |   0.0 |  0.00
Modify  | 0.62635    | 0.62635    | 0.62635    |   0.0 |  0.14
Other   |            | 0.1029     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19195e+06 ave 2.19195e+06 max 2.19195e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191946
Ave neighs/atom = 273.99325
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    4000   -58111.694   -58111.694   -58423.899   -58423.899    301.95316    301.95316    45671.192    45671.192    1141.0768    1141.0768 
    5000   -58116.541   -58116.541    -58442.42    -58442.42    315.17826    315.17826    45689.125    45689.125   -1187.1349   -1187.1349 
Loop time of 442.911 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.195 ns/day, 123.031 hours/ns, 2.258 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 442.03     | 442.03     | 442.03     |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12124    | 0.12124    | 0.12124    |   0.0 |  0.03
Output  | 0.0001305  | 0.0001305  | 0.0001305  |   0.0 |  0.00
Modify  | 0.64576    | 0.64576    | 0.64576    |   0.0 |  0.15
Other   |            | 0.1093     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19193e+06 ave 2.19193e+06 max 2.19193e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191932
Ave neighs/atom = 273.99150
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.784635480106, Press = -658.960408376791
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    5000   -58116.541   -58116.541    -58442.42    -58442.42    315.17826    315.17826    45689.125    45689.125   -1187.1349   -1187.1349 
    6000   -58106.609   -58106.609   -58427.295   -58427.295    310.15598    310.15598    45671.904    45671.904    1277.5244    1277.5244 
Loop time of 452.64 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.191 ns/day, 125.733 hours/ns, 2.209 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    | 451.74     | 451.74     | 451.74     |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12339    | 0.12339    | 0.12339    |   0.0 |  0.03
Output  | 0.00013335 | 0.00013335 | 0.00013335 |   0.0 |  0.00
Modify  | 0.66812    | 0.66812    | 0.66812    |   0.0 |  0.15
Other   |            | 0.1091     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19196e+06 ave 2.19196e+06 max 2.19196e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191962
Ave neighs/atom = 273.99525
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.739477202002, Press = 78.5607483903192
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    6000   -58106.609   -58106.609   -58427.295   -58427.295    310.15598    310.15598    45671.904    45671.904    1277.5244    1277.5244 
    7000   -58118.303   -58118.303   -58442.399   -58442.399    313.45344    313.45344    45679.109    45679.109   -165.10419   -165.10419 
Loop time of 464.663 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.186 ns/day, 129.073 hours/ns, 2.152 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 463.72     | 463.72     | 463.72     |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12672    | 0.12672    | 0.12672    |   0.0 |  0.03
Output  | 0.00015427 | 0.00015427 | 0.00015427 |   0.0 |  0.00
Modify  | 0.70159    | 0.70159    | 0.70159    |   0.0 |  0.15
Other   |            | 0.1172     |            |       |  0.03

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19194e+06 ave 2.19194e+06 max 2.19194e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191944
Ave neighs/atom = 273.99300
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 = 312.988730836437, Press = -54.5311254745605
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    7000   -58118.303   -58118.303   -58442.399   -58442.399    313.45344    313.45344    45679.109    45679.109   -165.10419   -165.10419 
    8000   -58107.875   -58107.875   -58426.928   -58426.928    308.57664    308.57664    45686.601    45686.601   -208.45821   -208.45821 
Loop time of 447.029 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.193 ns/day, 124.175 hours/ns, 2.237 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 446.13     | 446.13     | 446.13     |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11762    | 0.11762    | 0.11762    |   0.0 |  0.03
Output  | 0.00019739 | 0.00019739 | 0.00019739 |   0.0 |  0.00
Modify  | 0.66971    | 0.66971    | 0.66971    |   0.0 |  0.15
Other   |            | 0.1074     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19198e+06 ave 2.19198e+06 max 2.19198e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191976
Ave neighs/atom = 273.99700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.095795667435, Press = 12.8105300243597
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    8000   -58107.875   -58107.875   -58426.928   -58426.928    308.57664    308.57664    45686.601    45686.601   -208.45821   -208.45821 
    9000   -58114.582   -58114.582    -58436.47    -58436.47    311.31875    311.31875    45673.571    45673.571    635.85034    635.85034 
Loop time of 443.35 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.195 ns/day, 123.153 hours/ns, 2.256 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 442.44     | 442.44     | 442.44     |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11866    | 0.11866    | 0.11866    |   0.0 |  0.03
Output  | 0.00013442 | 0.00013442 | 0.00013442 |   0.0 |  0.00
Modify  | 0.6732     | 0.6732     | 0.6732     |   0.0 |  0.15
Other   |            | 0.1131     |            |       |  0.03

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19191e+06 ave 2.19191e+06 max 2.19191e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191906
Ave neighs/atom = 273.98825
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.018471696625, Press = -8.89007312440482
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    9000   -58114.582   -58114.582    -58436.47    -58436.47    311.31875    311.31875    45673.571    45673.571    635.85034    635.85034 
   10000   -58114.824   -58114.824   -58434.151   -58434.151    308.84042    308.84042    45689.835    45689.835   -981.76979   -981.76979 
Loop time of 462.449 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.187 ns/day, 128.458 hours/ns, 2.162 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 461.5      | 461.5      | 461.5      |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12676    | 0.12676    | 0.12676    |   0.0 |  0.03
Output  | 0.00012707 | 0.00012707 | 0.00012707 |   0.0 |  0.00
Modify  | 0.70117    | 0.70117    | 0.70117    |   0.0 |  0.15
Other   |            | 0.1199     |            |       |  0.03

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19195e+06 ave 2.19195e+06 max 2.19195e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191948
Ave neighs/atom = 273.99350
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.128783903027, Press = 1.8239751092037
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   10000   -58114.824   -58114.824   -58434.151   -58434.151    308.84042    308.84042    45689.835    45689.835   -981.76979   -981.76979 
   11000   -58106.125   -58106.125    -58431.82    -58431.82    315.00025    315.00025    45668.975    45668.975    1386.9111    1386.9111 
Loop time of 460.946 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.187 ns/day, 128.041 hours/ns, 2.169 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 460.01     | 460.01     | 460.01     |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12547    | 0.12547    | 0.12547    |   0.0 |  0.03
Output  | 0.00014091 | 0.00014091 | 0.00014091 |   0.0 |  0.00
Modify  | 0.69776    | 0.69776    | 0.69776    |   0.0 |  0.15
Other   |            | 0.1144     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19192e+06 ave 2.19192e+06 max 2.19192e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191920
Ave neighs/atom = 273.99000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.108790844636, Press = -6.49605731458007
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   11000   -58106.125   -58106.125    -58431.82    -58431.82    315.00025    315.00025    45668.975    45668.975    1386.9111    1386.9111 
   12000   -58114.622   -58114.622    -58439.65    -58439.65    314.35472    314.35472    45707.748    45707.748   -2764.2052   -2764.2052 
Loop time of 442.758 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.195 ns/day, 122.988 hours/ns, 2.259 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    | 441.87     | 441.87     | 441.87     |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11758    | 0.11758    | 0.11758    |   0.0 |  0.03
Output  | 0.00017026 | 0.00017026 | 0.00017026 |   0.0 |  0.00
Modify  | 0.66431    | 0.66431    | 0.66431    |   0.0 |  0.15
Other   |            | 0.1037     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19195e+06 ave 2.19195e+06 max 2.19195e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191952
Ave neighs/atom = 273.99400
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 = 313.263601774896, Press = 1.59979961058027
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   12000   -58114.622   -58114.622    -58439.65    -58439.65    314.35472    314.35472    45707.748    45707.748   -2764.2052   -2764.2052 
   13000   -58111.367   -58111.367   -58435.899   -58435.899    313.87469    313.87469    45643.617    45643.617    3425.2263    3425.2263 
Loop time of 524.289 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.165 ns/day, 145.636 hours/ns, 1.907 timesteps/s
98.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 523.23     | 523.23     | 523.23     |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13794    | 0.13794    | 0.13794    |   0.0 |  0.03
Output  | 0.0002176  | 0.0002176  | 0.0002176  |   0.0 |  0.00
Modify  | 0.79202    | 0.79202    | 0.79202    |   0.0 |  0.15
Other   |            | 0.1242     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19195e+06 ave 2.19195e+06 max 2.19195e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191946
Ave neighs/atom = 273.99325
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.379034918637, Press = -3.72147977477045
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   13000   -58111.367   -58111.367   -58435.899   -58435.899    313.87469    313.87469    45643.617    45643.617    3425.2263    3425.2263 
   14000   -58115.894   -58115.894   -58443.675   -58443.675    317.01753    317.01753    45715.157    45715.157   -3584.8651   -3584.8651 
Loop time of 792.645 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.109 ns/day, 220.179 hours/ns, 1.262 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    | 791.11     | 791.11     | 791.11     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.20826    | 0.20826    | 0.20826    |   0.0 |  0.03
Output  | 0.00029147 | 0.00029147 | 0.00029147 |   0.0 |  0.00
Modify  | 1.1588     | 1.1588     | 1.1588     |   0.0 |  0.15
Other   |            | 0.1724     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19193e+06 ave 2.19193e+06 max 2.19193e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191926
Ave neighs/atom = 273.99075
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.337147933081, Press = -1.70646715721994
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   14000   -58115.894   -58115.894   -58443.675   -58443.675    317.01753    317.01753    45715.157    45715.157   -3584.8651   -3584.8651 
   15000   -58111.242   -58111.242   -58437.962   -58437.962    315.99175    315.99175    45649.011    45649.011     2867.902     2867.902 
Loop time of 816.661 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.106 ns/day, 226.850 hours/ns, 1.224 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 815.08     | 815.08     | 815.08     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.21662    | 0.21662    | 0.21662    |   0.0 |  0.03
Output  | 0.00025828 | 0.00025828 | 0.00025828 |   0.0 |  0.00
Modify  | 1.1894     | 1.1894     | 1.1894     |   0.0 |  0.15
Other   |            | 0.178      |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19196e+06 ave 2.19196e+06 max 2.19196e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191958
Ave neighs/atom = 273.99475
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.329179785051, Press = 1.05832575498902
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   15000   -58111.242   -58111.242   -58437.962   -58437.962    315.99175    315.99175    45649.011    45649.011     2867.902     2867.902 
   16000   -58117.776   -58117.776   -58438.674   -58438.674    310.36091    310.36091    45704.252    45704.252   -2433.8673   -2433.8673 
Loop time of 836.452 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.103 ns/day, 232.348 hours/ns, 1.196 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    | 834.86     | 834.86     | 834.86     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.22029    | 0.22029    | 0.22029    |   0.0 |  0.03
Output  | 0.0002155  | 0.0002155  | 0.0002155  |   0.0 |  0.00
Modify  | 1.1993     | 1.1993     | 1.1993     |   0.0 |  0.14
Other   |            | 0.1747     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19194e+06 ave 2.19194e+06 max 2.19194e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191938
Ave neighs/atom = 273.99225
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.320621155985, Press = -3.85575320077175
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   16000   -58117.776   -58117.776   -58438.674   -58438.674    310.36091    310.36091    45704.252    45704.252   -2433.8673   -2433.8673 
   17000   -58111.365   -58111.365    -58437.14    -58437.14    315.07744    315.07744    45661.463    45661.463    1744.9199    1744.9199 
Loop time of 808.971 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.107 ns/day, 224.714 hours/ns, 1.236 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    | 807.44     | 807.44     | 807.44     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.21482    | 0.21482    | 0.21482    |   0.0 |  0.03
Output  | 0.0002177  | 0.0002177  | 0.0002177  |   0.0 |  0.00
Modify  | 1.147      | 1.147      | 1.147      |   0.0 |  0.14
Other   |            | 0.1656     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19193e+06 ave 2.19193e+06 max 2.19193e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191934
Ave neighs/atom = 273.99175
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.247162370662, Press = 2.19531291638327
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   17000   -58111.365   -58111.365    -58437.14    -58437.14    315.07744    315.07744    45661.463    45661.463    1744.9199    1744.9199 
   18000   -58113.071   -58113.071   -58437.157   -58437.157    313.44448    313.44448    45692.551    45692.551   -1134.9641   -1134.9641 
Loop time of 793.708 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.109 ns/day, 220.474 hours/ns, 1.260 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 792.18     | 792.18     | 792.18     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.21002    | 0.21002    | 0.21002    |   0.0 |  0.03
Output  | 0.00023003 | 0.00023003 | 0.00023003 |   0.0 |  0.00
Modify  | 1.1459     | 1.1459     | 1.1459     |   0.0 |  0.14
Other   |            | 0.1682     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19193e+06 ave 2.19193e+06 max 2.19193e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191934
Ave neighs/atom = 273.99175
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.201508135763, Press = -3.22282363202722
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   18000   -58113.071   -58113.071   -58437.157   -58437.157    313.44448    313.44448    45692.551    45692.551   -1134.9641   -1134.9641 
   19000   -58110.116   -58110.116    -58433.67    -58433.67    312.92952    312.92952    45677.026    45677.026    672.86956    672.86956 
Loop time of 867.218 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.100 ns/day, 240.894 hours/ns, 1.153 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 865.56     | 865.56     | 865.56     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.22543    | 0.22543    | 0.22543    |   0.0 |  0.03
Output  | 0.0002477  | 0.0002477  | 0.0002477  |   0.0 |  0.00
Modify  | 1.2537     | 1.2537     | 1.2537     |   0.0 |  0.14
Other   |            | 0.1804     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19195e+06 ave 2.19195e+06 max 2.19195e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191950
Ave neighs/atom = 273.99375
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.166031255797, Press = 0.667344041762037
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   19000   -58110.116   -58110.116    -58433.67    -58433.67    312.92952    312.92952    45677.026    45677.026    672.86956    672.86956 
   20000   -58115.481   -58115.481   -58437.105   -58437.105    311.06303    311.06303    45682.236    45682.236   -149.11371   -149.11371 
Loop time of 836.376 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.103 ns/day, 232.327 hours/ns, 1.196 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    | 834.78     | 834.78     | 834.78     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.21946    | 0.21946    | 0.21946    |   0.0 |  0.03
Output  | 0.00021611 | 0.00021611 | 0.00021611 |   0.0 |  0.00
Modify  | 1.202      | 1.202      | 1.202      |   0.0 |  0.14
Other   |            | 0.1751     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19195e+06 ave 2.19195e+06 max 2.19195e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191950
Ave neighs/atom = 273.99375
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.172034456019, Press = -2.35387833957656
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   20000   -58115.481   -58115.481   -58437.105   -58437.105    311.06303    311.06303    45682.236    45682.236   -149.11371   -149.11371 
   21000   -58111.605   -58111.605   -58435.848   -58435.848    313.59593    313.59593    45682.081    45682.081    3.1231581    3.1231581 
Loop time of 816.467 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.106 ns/day, 226.796 hours/ns, 1.225 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 814.92     | 814.92     | 814.92     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.21685    | 0.21685    | 0.21685    |   0.0 |  0.03
Output  | 0.00023252 | 0.00023252 | 0.00023252 |   0.0 |  0.00
Modify  | 1.1627     | 1.1627     | 1.1627     |   0.0 |  0.14
Other   |            | 0.1678     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19194e+06 ave 2.19194e+06 max 2.19194e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191942
Ave neighs/atom = 273.99275
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.093782923134, Press = 0.658898894184231
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   21000   -58111.605   -58111.605   -58435.848   -58435.848    313.59593    313.59593    45682.081    45682.081    3.1231581    3.1231581 
   22000   -58118.625   -58118.625   -58440.807   -58440.807    311.60227    311.60227    45670.625    45670.625    691.71573    691.71573 
Loop time of 800.574 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.108 ns/day, 222.382 hours/ns, 1.249 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 799.06     | 799.06     | 799.06     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.21252    | 0.21252    | 0.21252    |   0.0 |  0.03
Output  | 0.00021587 | 0.00021587 | 0.00021587 |   0.0 |  0.00
Modify  | 1.1346     | 1.1346     | 1.1346     |   0.0 |  0.14
Other   |            | 0.1648     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19192e+06 ave 2.19192e+06 max 2.19192e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191924
Ave neighs/atom = 273.99050
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.083468280305, Press = -4.49295766654339
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   22000   -58118.625   -58118.625   -58440.807   -58440.807    311.60227    311.60227    45670.625    45670.625    691.71573    691.71573 
   23000   -58109.895   -58109.895   -58436.702   -58436.702    316.07546    316.07546    45703.042    45703.042   -2052.1054   -2052.1054 
Loop time of 870.539 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.099 ns/day, 241.816 hours/ns, 1.149 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 868.87     | 868.87     | 868.87     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.22627    | 0.22627    | 0.22627    |   0.0 |  0.03
Output  | 0.00024379 | 0.00024379 | 0.00024379 |   0.0 |  0.00
Modify  | 1.2612     | 1.2612     | 1.2612     |   0.0 |  0.14
Other   |            | 0.1816     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19197e+06 ave 2.19197e+06 max 2.19197e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191966
Ave neighs/atom = 273.99575
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.003179599953, Press = 2.80251950508411
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   23000   -58109.895   -58109.895   -58436.702   -58436.702    316.07546    316.07546    45703.042    45703.042   -2052.1054   -2052.1054 
   24000   -58116.936   -58116.936   -58435.542   -58435.542    308.14473    308.14473    45650.242    45650.242    2860.0763    2860.0763 
Loop time of 858.567 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.101 ns/day, 238.491 hours/ns, 1.165 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 856.91     | 856.91     | 856.91     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.22183    | 0.22183    | 0.22183    |   0.0 |  0.03
Output  | 0.00023407 | 0.00023407 | 0.00023407 |   0.0 |  0.00
Modify  | 1.2557     | 1.2557     | 1.2557     |   0.0 |  0.15
Other   |            | 0.1834     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19193e+06 ave 2.19193e+06 max 2.19193e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191930
Ave neighs/atom = 273.99125
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.966518507124, Press = -3.69215449795753
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   24000   -58116.936   -58116.936   -58435.542   -58435.542    308.14473    308.14473    45650.242    45650.242    2860.0763    2860.0763 
   25000   -58110.914   -58110.914    -58438.71    -58438.71    317.03254    317.03254     45702.48     45702.48   -2132.6912   -2132.6912 
Loop time of 791.157 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.109 ns/day, 219.766 hours/ns, 1.264 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    | 789.58     | 789.58     | 789.58     |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.20809    | 0.20809    | 0.20809    |   0.0 |  0.03
Output  | 0.00022805 | 0.00022805 | 0.00022805 |   0.0 |  0.00
Modify  | 1.1814     | 1.1814     | 1.1814     |   0.0 |  0.15
Other   |            | 0.1869     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19195e+06 ave 2.19195e+06 max 2.19195e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191952
Ave neighs/atom = 273.99400
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 = 312.964877054467, Press = 0.356465937351601
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   25000   -58110.914   -58110.914    -58438.71    -58438.71    317.03254    317.03254     45702.48     45702.48   -2132.6912   -2132.6912 
   26000   -58113.645   -58113.645   -58439.968   -58439.968    315.60749    315.60749    45668.386    45668.386    891.11163    891.11163 
Loop time of 854.063 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.101 ns/day, 237.240 hours/ns, 1.171 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 852.4      | 852.4      | 852.4      |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.22254    | 0.22254    | 0.22254    |   0.0 |  0.03
Output  | 0.00032835 | 0.00032835 | 0.00032835 |   0.0 |  0.00
Modify  | 1.2513     | 1.2513     | 1.2513     |   0.0 |  0.15
Other   |            | 0.1906     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19194e+06 ave 2.19194e+06 max 2.19194e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191940
Ave neighs/atom = 273.99250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.92644145611, Press = -1.08363957292173
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   26000   -58113.645   -58113.645   -58439.968   -58439.968    315.60749    315.60749    45668.386    45668.386    891.11163    891.11163 
   27000   -58116.444   -58116.444   -58439.874   -58439.874       312.81       312.81    45688.865    45688.865   -1019.4084   -1019.4084 
Loop time of 863.964 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.100 ns/day, 239.990 hours/ns, 1.157 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 862.28     | 862.28     | 862.28     |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.22579    | 0.22579    | 0.22579    |   0.0 |  0.03
Output  | 0.00022671 | 0.00022671 | 0.00022671 |   0.0 |  0.00
Modify  | 1.2717     | 1.2717     | 1.2717     |   0.0 |  0.15
Other   |            | 0.1911     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19194e+06 ave 2.19194e+06 max 2.19194e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191942
Ave neighs/atom = 273.99275
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.914986843968, Press = -0.869111199971566
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   27000   -58116.444   -58116.444   -58439.874   -58439.874       312.81       312.81    45688.865    45688.865   -1019.4084   -1019.4084 
   28000   -58112.638   -58112.638   -58437.838   -58437.838    314.52152    314.52152    45668.373    45668.373    1163.5339    1163.5339 
Loop time of 845.958 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.102 ns/day, 234.988 hours/ns, 1.182 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 844.31     | 844.31     | 844.31     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.22123    | 0.22123    | 0.22123    |   0.0 |  0.03
Output  | 0.00024154 | 0.00024154 | 0.00024154 |   0.0 |  0.00
Modify  | 1.2405     | 1.2405     | 1.2405     |   0.0 |  0.15
Other   |            | 0.186      |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19195e+06 ave 2.19195e+06 max 2.19195e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191946
Ave neighs/atom = 273.99325
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.855352982849, Press = -0.560200564321552
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   28000   -58112.638   -58112.638   -58437.838   -58437.838    314.52152    314.52152    45668.373    45668.373    1163.5339    1163.5339 
   29000    -58116.63    -58116.63   -58443.597   -58443.597    316.23011    316.23011    45694.358    45694.358   -1588.6655   -1588.6655 
Loop time of 866.534 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.100 ns/day, 240.704 hours/ns, 1.154 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 864.85     | 864.85     | 864.85     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.22537    | 0.22537    | 0.22537    |   0.0 |  0.03
Output  | 0.00022884 | 0.00022884 | 0.00022884 |   0.0 |  0.00
Modify  | 1.2662     | 1.2662     | 1.2662     |   0.0 |  0.15
Other   |            | 0.1884     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19196e+06 ave 2.19196e+06 max 2.19196e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191958
Ave neighs/atom = 273.99475
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.862287120224, Press = -1.15735082591274
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   29000    -58116.63    -58116.63   -58443.597   -58443.597    316.23011    316.23011    45694.358    45694.358   -1588.6655   -1588.6655 
   30000   -58111.958   -58111.958   -58436.487   -58436.487    313.87234    313.87234    45661.315    45661.315    1748.9913    1748.9913 
Loop time of 781.562 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.111 ns/day, 217.100 hours/ns, 1.279 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 780.03     | 780.03     | 780.03     |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.20487    | 0.20487    | 0.20487    |   0.0 |  0.03
Output  | 0.00022636 | 0.00022636 | 0.00022636 |   0.0 |  0.00
Modify  | 1.1528     | 1.1528     | 1.1528     |   0.0 |  0.15
Other   |            | 0.1761     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19196e+06 ave 2.19196e+06 max 2.19196e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191956
Ave neighs/atom = 273.99450
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.853476935084, Press = 0.037303344784153
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   30000   -58111.958   -58111.958   -58436.487   -58436.487    313.87234    313.87234    45661.315    45661.315    1748.9913    1748.9913 
   31000   -58115.884   -58115.884    -58436.64    -58436.64    310.22403    310.22403    45704.727    45704.727   -2307.8617   -2307.8617 
Loop time of 881.8 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.098 ns/day, 244.945 hours/ns, 1.134 timesteps/s
99.2% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 880.11     | 880.11     | 880.11     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.22765    | 0.22765    | 0.22765    |   0.0 |  0.03
Output  | 0.00023043 | 0.00023043 | 0.00023043 |   0.0 |  0.00
Modify  | 1.2771     | 1.2771     | 1.2771     |   0.0 |  0.14
Other   |            | 0.1901     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19196e+06 ave 2.19196e+06 max 2.19196e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191964
Ave neighs/atom = 273.99550
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.852904727967, Press = -2.08259826048345
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   31000   -58115.884   -58115.884    -58436.64    -58436.64    310.22403    310.22403    45704.727    45704.727   -2307.8617   -2307.8617 
   32000   -58117.047   -58117.047   -58433.698   -58433.698    306.25271    306.25271    45654.284    45654.284    2559.8622    2559.8622 
Loop time of 846.238 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.102 ns/day, 235.066 hours/ns, 1.182 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    | 844.59     | 844.59     | 844.59     |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.21892    | 0.21892    | 0.21892    |   0.0 |  0.03
Output  | 0.0002265  | 0.0002265  | 0.0002265  |   0.0 |  0.00
Modify  | 1.2315     | 1.2315     | 1.2315     |   0.0 |  0.15
Other   |            | 0.1999     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19195e+06 ave 2.19195e+06 max 2.19195e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191954
Ave neighs/atom = 273.99425
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.852246520318, Press = 1.20015424231926
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   32000   -58117.047   -58117.047   -58433.698   -58433.698    306.25271    306.25271    45654.284    45654.284    2559.8622    2559.8622 
   33000   -58109.658   -58109.658   -58435.143   -58435.143     314.7976     314.7976    45705.931    45705.931   -2188.1657   -2188.1657 
Loop time of 860.902 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.100 ns/day, 239.139 hours/ns, 1.162 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 859.23     | 859.23     | 859.23     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.22296    | 0.22296    | 0.22296    |   0.0 |  0.03
Output  | 0.00024599 | 0.00024599 | 0.00024599 |   0.0 |  0.00
Modify  | 1.262      | 1.262      | 1.262      |   0.0 |  0.15
Other   |            | 0.1891     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19193e+06 ave 2.19193e+06 max 2.19193e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191932
Ave neighs/atom = 273.99150
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.812871589686, Press = -2.9079740278751
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   33000   -58109.658   -58109.658   -58435.143   -58435.143     314.7976     314.7976    45705.931    45705.931   -2188.1657   -2188.1657 
   34000   -58111.808   -58111.808   -58433.913   -58433.913    311.52816    311.52816    45668.443    45668.443    1292.1851    1292.1851 
Loop time of 872.397 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.099 ns/day, 242.333 hours/ns, 1.146 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    | 870.71     | 870.71     | 870.71     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.22604    | 0.22604    | 0.22604    |   0.0 |  0.03
Output  | 0.00024409 | 0.00024409 | 0.00024409 |   0.0 |  0.00
Modify  | 1.2746     | 1.2746     | 1.2746     |   0.0 |  0.15
Other   |            | 0.1897     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19194e+06 ave 2.19194e+06 max 2.19194e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191942
Ave neighs/atom = 273.99275
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.799611113707, Press = 1.23000414309353
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   34000   -58111.808   -58111.808   -58433.913   -58433.913    311.52816    311.52816    45668.443    45668.443    1292.1851    1292.1851 
   35000   -58109.242   -58109.242   -58438.705   -58438.705    318.64442    318.64442    45685.344    45685.344    -573.6393    -573.6393 
Loop time of 791.803 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.109 ns/day, 219.945 hours/ns, 1.263 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 790.25     | 790.25     | 790.25     |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.20817    | 0.20817    | 0.20817    |   0.0 |  0.03
Output  | 0.00021397 | 0.00021397 | 0.00021397 |   0.0 |  0.00
Modify  | 1.1631     | 1.1631     | 1.1631     |   0.0 |  0.15
Other   |            | 0.1795     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19193e+06 ave 2.19193e+06 max 2.19193e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191926
Ave neighs/atom = 273.99075
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.772455387474, Press = -1.53256847328795
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   35000   -58109.242   -58109.242   -58438.705   -58438.705    318.64442    318.64442    45685.344    45685.344    -573.6393    -573.6393 
   36000   -58115.284   -58115.284   -58437.069   -58437.069    311.21896    311.21896    45680.553    45680.553    -57.20854    -57.20854 
Loop time of 821.184 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.105 ns/day, 228.107 hours/ns, 1.218 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    | 819.62     | 819.62     | 819.62     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.21604    | 0.21604    | 0.21604    |   0.0 |  0.03
Output  | 0.00021508 | 0.00021508 | 0.00021508 |   0.0 |  0.00
Modify  | 1.1672     | 1.1672     | 1.1672     |   0.0 |  0.14
Other   |            | 0.1766     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19194e+06 ave 2.19194e+06 max 2.19194e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191936
Ave neighs/atom = 273.99200
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 = 312.784786321422, Press = -0.0720530332132289
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   36000   -58115.284   -58115.284   -58437.069   -58437.069    311.21896    311.21896    45680.553    45680.553    -57.20854    -57.20854 
   37000   -58105.473   -58105.473    -58430.84    -58430.84    314.68304    314.68304    45678.461    45678.461    554.33784    554.33784 
Loop time of 798.874 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.108 ns/day, 221.910 hours/ns, 1.252 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 797.35     | 797.35     | 797.35     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.21337    | 0.21337    | 0.21337    |   0.0 |  0.03
Output  | 0.0003475  | 0.0003475  | 0.0003475  |   0.0 |  0.00
Modify  | 1.1424     | 1.1424     | 1.1424     |   0.0 |  0.14
Other   |            | 0.1725     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19194e+06 ave 2.19194e+06 max 2.19194e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191944
Ave neighs/atom = 273.99300
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 = 312.806231322163, Press = -1.29281633850715
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   37000   -58105.473   -58105.473    -58430.84    -58430.84    314.68304    314.68304    45678.461    45678.461    554.33784    554.33784 
   38000   -58115.994   -58115.994   -58437.556   -58437.556    311.00306    311.00306    45695.488    45695.488   -1406.4705   -1406.4705 
Loop time of 797.335 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.108 ns/day, 221.482 hours/ns, 1.254 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 795.8      | 795.8      | 795.8      |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.21035    | 0.21035    | 0.21035    |   0.0 |  0.03
Output  | 0.00021256 | 0.00021256 | 0.00021256 |   0.0 |  0.00
Modify  | 1.1484     | 1.1484     | 1.1484     |   0.0 |  0.14
Other   |            | 0.1772     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19194e+06 ave 2.19194e+06 max 2.19194e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191938
Ave neighs/atom = 273.99225
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.844912752652, Press = 0.241845509336294
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   38000   -58115.994   -58115.994   -58437.556   -58437.556    311.00306    311.00306    45695.488    45695.488   -1406.4705   -1406.4705 
   39000   -58106.706   -58106.706   -58433.646   -58433.646    316.20415    316.20415    45650.894    45650.894    3114.0971    3114.0971 
Loop time of 815.125 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.106 ns/day, 226.424 hours/ns, 1.227 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 813.55     | 813.55     | 813.55     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.21274    | 0.21274    | 0.21274    |   0.0 |  0.03
Output  | 0.0002139  | 0.0002139  | 0.0002139  |   0.0 |  0.00
Modify  | 1.184      | 1.184      | 1.184      |   0.0 |  0.15
Other   |            | 0.1791     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19193e+06 ave 2.19193e+06 max 2.19193e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191932
Ave neighs/atom = 273.99150
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.894581329558, Press = -1.63618426928269
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   39000   -58106.706   -58106.706   -58433.646   -58433.646    316.20415    316.20415    45650.894    45650.894    3114.0971    3114.0971 
   40000   -58112.961   -58112.961   -58436.828   -58436.828    313.23125    313.23125    45715.792    45715.792   -3286.0825   -3286.0825 
Loop time of 820.158 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.105 ns/day, 227.822 hours/ns, 1.219 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 818.59     | 818.59     | 818.59     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.21698    | 0.21698    | 0.21698    |   0.0 |  0.03
Output  | 0.00021703 | 0.00021703 | 0.00021703 |   0.0 |  0.00
Modify  | 1.1704     | 1.1704     | 1.1704     |   0.0 |  0.14
Other   |            | 0.1767     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19195e+06 ave 2.19195e+06 max 2.19195e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191950
Ave neighs/atom = 273.99375
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.908717342653, Press = 0.0068494726697142
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   40000   -58112.961   -58112.961   -58436.828   -58436.828    313.23125    313.23125    45715.792    45715.792   -3286.0825   -3286.0825 
   41000   -58109.883   -58109.883   -58440.739   -58440.739    319.99191    319.99191     45652.36     45652.36    2564.7349    2564.7349 
Loop time of 767.717 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.113 ns/day, 213.255 hours/ns, 1.303 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 766.24     | 766.24     | 766.24     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.20477    | 0.20477    | 0.20477    |   0.0 |  0.03
Output  | 0.00019739 | 0.00019739 | 0.00019739 |   0.0 |  0.00
Modify  | 1.1028     | 1.1028     | 1.1028     |   0.0 |  0.14
Other   |            | 0.1723     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19197e+06 ave 2.19197e+06 max 2.19197e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191966
Ave neighs/atom = 273.99575
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.950176540469, Press = -0.637210551571524
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   41000   -58109.883   -58109.883   -58440.739   -58440.739    319.99191    319.99191     45652.36     45652.36    2564.7349    2564.7349 
   42000   -58118.012   -58118.012   -58436.155   -58436.155    307.69638    307.69638    45691.876    45691.876   -1293.7243   -1293.7243 
Loop time of 830.658 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.104 ns/day, 230.738 hours/ns, 1.204 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 829.07     | 829.07     | 829.07     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.21911    | 0.21911    | 0.21911    |   0.0 |  0.03
Output  | 0.00021401 | 0.00021401 | 0.00021401 |   0.0 |  0.00
Modify  | 1.1876     | 1.1876     | 1.1876     |   0.0 |  0.14
Other   |            | 0.1771     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19195e+06 ave 2.19195e+06 max 2.19195e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191952
Ave neighs/atom = 273.99400
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 = 312.945538870822, Press = -0.715630311093268
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   42000   -58118.012   -58118.012   -58436.155   -58436.155    307.69638    307.69638    45691.876    45691.876   -1293.7243   -1293.7243 
   43000   -58113.213   -58113.213   -58436.267   -58436.267    312.44565    312.44565    45673.518    45673.518     583.9211     583.9211 
Loop time of 816.209 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.106 ns/day, 226.725 hours/ns, 1.225 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 814.65     | 814.65     | 814.65     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.21698    | 0.21698    | 0.21698    |   0.0 |  0.03
Output  | 0.0002283  | 0.0002283  | 0.0002283  |   0.0 |  0.00
Modify  | 1.1617     | 1.1617     | 1.1617     |   0.0 |  0.14
Other   |            | 0.1762     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19194e+06 ave 2.19194e+06 max 2.19194e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191942
Ave neighs/atom = 273.99275
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.933887493661, Press = -0.377078591706882
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   43000   -58113.213   -58113.213   -58436.267   -58436.267    312.44565    312.44565    45673.518    45673.518     583.9211     583.9211 
   44000   -58110.768   -58110.768   -58431.431   -58431.431    310.13325    310.13325    45688.365    45688.365   -376.16577   -376.16577 
Loop time of 791.148 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.109 ns/day, 219.763 hours/ns, 1.264 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 789.64     | 789.64     | 789.64     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.20916    | 0.20916    | 0.20916    |   0.0 |  0.03
Output  | 0.0010098  | 0.0010098  | 0.0010098  |   0.0 |  0.00
Modify  | 1.1278     | 1.1278     | 1.1278     |   0.0 |  0.14
Other   |            | 0.1712     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19192e+06 ave 2.19192e+06 max 2.19192e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191918
Ave neighs/atom = 273.98975
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.90382690329, Press = -0.856111398820221
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   44000   -58110.768   -58110.768   -58431.431   -58431.431    310.13325    310.13325    45688.365    45688.365   -376.16577   -376.16577 
   45000   -58108.818   -58108.818   -58434.353   -58434.353    314.84556    314.84556    45673.498    45673.498    818.92919    818.92919 
Loop time of 829.292 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.104 ns/day, 230.359 hours/ns, 1.206 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 827.71     | 827.71     | 827.71     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.21896    | 0.21896    | 0.21896    |   0.0 |  0.03
Output  | 0.0002134  | 0.0002134  | 0.0002134  |   0.0 |  0.00
Modify  | 1.1875     | 1.1875     | 1.1875     |   0.0 |  0.14
Other   |            | 0.1796     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19193e+06 ave 2.19193e+06 max 2.19193e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191932
Ave neighs/atom = 273.99150
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.88220580219, Press = -0.107668637770701
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   45000   -58108.818   -58108.818   -58434.353   -58434.353    314.84556    314.84556    45673.498    45673.498    818.92919    818.92919 
   46000   -58118.229   -58118.229   -58432.852   -58432.852    304.29217    304.29217    45689.424    45689.424   -801.34171   -801.34171 
Loop time of 773.236 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.112 ns/day, 214.788 hours/ns, 1.293 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 771.75     | 771.75     | 771.75     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.20525    | 0.20525    | 0.20525    |   0.0 |  0.03
Output  | 0.00021265 | 0.00021265 | 0.00021265 |   0.0 |  0.00
Modify  | 1.109      | 1.109      | 1.109      |   0.0 |  0.14
Other   |            | 0.1697     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19194e+06 ave 2.19194e+06 max 2.19194e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191940
Ave neighs/atom = 273.99250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.858485137557, Press = -1.46244801941207
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   46000   -58118.229   -58118.229   -58432.852   -58432.852    304.29217    304.29217    45689.424    45689.424   -801.34171   -801.34171 
   47000    -58117.06    -58117.06   -58438.421   -58438.421    310.80808    310.80808    45669.008    45669.008    1030.6992    1030.6992 
Loop time of 837.486 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.103 ns/day, 232.635 hours/ns, 1.194 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 835.88     | 835.88     | 835.88     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.22072    | 0.22072    | 0.22072    |   0.0 |  0.03
Output  | 0.00023036 | 0.00023036 | 0.00023036 |   0.0 |  0.00
Modify  | 1.206      | 1.206      | 1.206      |   0.0 |  0.14
Other   |            | 0.1805     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19193e+06 ave 2.19193e+06 max 2.19193e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191934
Ave neighs/atom = 273.99175
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.856693150817, Press = 0.599105139254732
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   47000    -58117.06    -58117.06   -58438.421   -58438.421    310.80808    310.80808    45669.008    45669.008    1030.6992    1030.6992 
   48000   -58112.335   -58112.335   -58433.004   -58433.004    310.13875    310.13875    45690.125    45690.125   -793.55438   -793.55438 
Loop time of 815.554 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.106 ns/day, 226.543 hours/ns, 1.226 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 814        | 814        | 814        |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.21544    | 0.21544    | 0.21544    |   0.0 |  0.03
Output  | 0.00025223 | 0.00025223 | 0.00025223 |   0.0 |  0.00
Modify  | 1.1618     | 1.1618     | 1.1618     |   0.0 |  0.14
Other   |            | 0.1738     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19195e+06 ave 2.19195e+06 max 2.19195e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191946
Ave neighs/atom = 273.99325
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.862115210365, Press = -1.96119358579539
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   48000   -58112.335   -58112.335   -58433.004   -58433.004    310.13875    310.13875    45690.125    45690.125   -793.55438   -793.55438 
   49000    -58112.32    -58112.32   -58434.071   -58434.071    311.18559    311.18559    45674.445    45674.445    582.83693    582.83693 
Loop time of 821.18 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.105 ns/day, 228.106 hours/ns, 1.218 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 819.62     | 819.62     | 819.62     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.21704    | 0.21704    | 0.21704    |   0.0 |  0.03
Output  | 0.0002172  | 0.0002172  | 0.0002172  |   0.0 |  0.00
Modify  | 1.1674     | 1.1674     | 1.1674     |   0.0 |  0.14
Other   |            | 0.1749     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19193e+06 ave 2.19193e+06 max 2.19193e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191930
Ave neighs/atom = 273.99125
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.860269595367, Press = 1.70731216826747
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   49000    -58112.32    -58112.32   -58434.071   -58434.071    311.18559    311.18559    45674.445    45674.445    582.83693    582.83693 
   50000   -58121.494   -58121.494   -58441.945   -58441.945    309.92882    309.92882    45672.783    45672.783    352.26146    352.26146 
Loop time of 852.45 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.101 ns/day, 236.792 hours/ns, 1.173 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 850.82     | 850.82     | 850.82     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.22287    | 0.22287    | 0.22287    |   0.0 |  0.03
Output  | 0.00022515 | 0.00022515 | 0.00022515 |   0.0 |  0.00
Modify  | 1.2283     | 1.2283     | 1.2283     |   0.0 |  0.14
Other   |            | 0.1819     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19192e+06 ave 2.19192e+06 max 2.19192e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191922
Ave neighs/atom = 273.99025
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.848283884642, Press = -3.0044173362941
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   50000   -58121.494   -58121.494   -58441.945   -58441.945    309.92882    309.92882    45672.783    45672.783    352.26146    352.26146 
   51000   -58107.746   -58107.746   -58434.939   -58434.939    316.44919    316.44919    45688.833    45688.833   -578.98745   -578.98745 
Loop time of 842.505 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.103 ns/day, 234.029 hours/ns, 1.187 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 840.89     | 840.89     | 840.89     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.22204    | 0.22204    | 0.22204    |   0.0 |  0.03
Output  | 0.00021613 | 0.00021613 | 0.00021613 |   0.0 |  0.00
Modify  | 1.2107     | 1.2107     | 1.2107     |   0.0 |  0.14
Other   |            | 0.18       |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19196e+06 ave 2.19196e+06 max 2.19196e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191962
Ave neighs/atom = 273.99525
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.8444124305, Press = 0.420868045137708
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   51000   -58107.746   -58107.746   -58434.939   -58434.939    316.44919    316.44919    45688.833    45688.833   -578.98745   -578.98745 
   52000    -58113.54    -58113.54   -58435.563   -58435.563    311.44844    311.44844    45672.488    45672.488    765.35845    765.35845 
Loop time of 808.507 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.107 ns/day, 224.585 hours/ns, 1.237 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 806.98     | 806.98     | 806.98     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.21536    | 0.21536    | 0.21536    |   0.0 |  0.03
Output  | 0.00021318 | 0.00021318 | 0.00021318 |   0.0 |  0.00
Modify  | 1.1398     | 1.1398     | 1.1398     |   0.0 |  0.14
Other   |            | 0.1717     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19196e+06 ave 2.19196e+06 max 2.19196e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191958
Ave neighs/atom = 273.99475
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.865533686549, Press = -1.08471077453931
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   52000    -58113.54    -58113.54   -58435.563   -58435.563    311.44844    311.44844    45672.488    45672.488    765.35845    765.35845 
   53000   -58109.868   -58109.868   -58433.456   -58433.456     312.9621     312.9621    45691.903    45691.903   -901.00995   -901.00995 
Loop time of 810.964 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.107 ns/day, 225.268 hours/ns, 1.233 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 809.42     | 809.42     | 809.42     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.21677    | 0.21677    | 0.21677    |   0.0 |  0.03
Output  | 0.00021449 | 0.00021449 | 0.00021449 |   0.0 |  0.00
Modify  | 1.1504     | 1.1504     | 1.1504     |   0.0 |  0.14
Other   |            | 0.172      |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19195e+06 ave 2.19195e+06 max 2.19195e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191954
Ave neighs/atom = 273.99425
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.884292973209, Press = 0.104035080695183
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   53000   -58109.868   -58109.868   -58433.456   -58433.456     312.9621     312.9621    45691.903    45691.903   -901.00995   -901.00995 
   54000   -58117.477   -58117.477   -58439.662   -58439.662    311.60587    311.60587    45653.209    45653.209    2369.7894    2369.7894 
Loop time of 808.558 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.107 ns/day, 224.599 hours/ns, 1.237 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 807.03     | 807.03     | 807.03     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.21426    | 0.21426    | 0.21426    |   0.0 |  0.03
Output  | 0.00021343 | 0.00021343 | 0.00021343 |   0.0 |  0.00
Modify  | 1.1408     | 1.1408     | 1.1408     |   0.0 |  0.14
Other   |            | 0.1712     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19194e+06 ave 2.19194e+06 max 2.19194e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191938
Ave neighs/atom = 273.99225
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.878049059829, Press = -1.50312325967654
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   54000   -58117.477   -58117.477   -58439.662   -58439.662    311.60587    311.60587    45653.209    45653.209    2369.7894    2369.7894 
   55000   -58111.989   -58111.989   -58436.388   -58436.388    313.74665    313.74665    45727.466    45727.466   -4358.4064   -4358.4064 
Loop time of 817.772 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.106 ns/day, 227.159 hours/ns, 1.223 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    | 816.22     | 816.22     | 816.22     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.21704    | 0.21704    | 0.21704    |   0.0 |  0.03
Output  | 0.00022145 | 0.00022145 | 0.00022145 |   0.0 |  0.00
Modify  | 1.1575     | 1.1575     | 1.1575     |   0.0 |  0.14
Other   |            | 0.1737     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19197e+06 ave 2.19197e+06 max 2.19197e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191970
Ave neighs/atom = 273.99625
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.868056057281, Press = 0.676800289509844
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   55000   -58111.989   -58111.989   -58436.388   -58436.388    313.74665    313.74665    45727.466    45727.466   -4358.4064   -4358.4064 
   56000   -58116.803   -58116.803   -58443.304   -58443.304    315.77894    315.77894    45639.159    45639.159    3460.7399    3460.7399 
Loop time of 830.538 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.104 ns/day, 230.705 hours/ns, 1.204 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 828.95     | 828.95     | 828.95     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.21963    | 0.21963    | 0.21963    |   0.0 |  0.03
Output  | 0.0002566  | 0.0002566  | 0.0002566  |   0.0 |  0.00
Modify  | 1.1866     | 1.1866     | 1.1866     |   0.0 |  0.14
Other   |            | 0.177      |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19190e+06 ave  2.1919e+06 max  2.1919e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191904
Ave neighs/atom = 273.98800
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 = 312.838201631349, Press = -0.695494365871905
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   56000   -58116.803   -58116.803   -58443.304   -58443.304    315.77894    315.77894    45639.159    45639.159    3460.7399    3460.7399 
   57000   -58115.947   -58115.947   -58436.803   -58436.803    310.31967    310.31967    45708.734    45708.734   -2875.2642   -2875.2642 
Loop time of 824.193 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.105 ns/day, 228.942 hours/ns, 1.213 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 822.62     | 822.62     | 822.62     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.21828    | 0.21828    | 0.21828    |   0.0 |  0.03
Output  | 0.0002402  | 0.0002402  | 0.0002402  |   0.0 |  0.00
Modify  | 1.1745     | 1.1745     | 1.1745     |   0.0 |  0.14
Other   |            | 0.1764     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19197e+06 ave 2.19197e+06 max 2.19197e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191966
Ave neighs/atom = 273.99575
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.842408452384, Press = -0.459999297599723
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   57000   -58115.947   -58115.947   -58436.803   -58436.803    310.31967    310.31967    45708.734    45708.734   -2875.2642   -2875.2642 
   58000   -58111.081   -58111.081   -58439.278   -58439.278    317.42016    317.42016    45654.918    45654.918    2265.3766    2265.3766 
Loop time of 829.865 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.104 ns/day, 230.518 hours/ns, 1.205 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    | 828.28     | 828.28     | 828.28     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.21994    | 0.21994    | 0.21994    |   0.0 |  0.03
Output  | 0.00021534 | 0.00021534 | 0.00021534 |   0.0 |  0.00
Modify  | 1.1843     | 1.1843     | 1.1843     |   0.0 |  0.14
Other   |            | 0.1766     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19195e+06 ave 2.19195e+06 max 2.19195e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191952
Ave neighs/atom = 273.99400
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 = 312.848624864899, Press = -0.0316970857224348
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   58000   -58111.081   -58111.081   -58439.278   -58439.278    317.42016    317.42016    45654.918    45654.918    2265.3766    2265.3766 
   59000   -58110.391   -58110.391   -58435.452   -58435.452    314.38658    314.38658     45702.19     45702.19   -1915.6994   -1915.6994 
Loop time of 809.521 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.107 ns/day, 224.867 hours/ns, 1.235 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 807.98     | 807.98     | 807.98     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.21633    | 0.21633    | 0.21633    |   0.0 |  0.03
Output  | 0.00022441 | 0.00022441 | 0.00022441 |   0.0 |  0.00
Modify  | 1.1473     | 1.1473     | 1.1473     |   0.0 |  0.14
Other   |            | 0.1722     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19194e+06 ave 2.19194e+06 max 2.19194e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191944
Ave neighs/atom = 273.99300
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 = 312.846654536552, Press = -1.00249246841574
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   59000   -58110.391   -58110.391   -58435.452   -58435.452    314.38658    314.38658     45702.19     45702.19   -1915.6994   -1915.6994 
   60000   -58120.356   -58120.356   -58444.362   -58444.362    313.36648    313.36648    45663.324    45663.324    1120.0981    1120.0981 
Loop time of 548.944 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.157 ns/day, 152.484 hours/ns, 1.822 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 547.86     | 547.86     | 547.86     |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.14822    | 0.14822    | 0.14822    |   0.0 |  0.03
Output  | 0.00015607 | 0.00015607 | 0.00015607 |   0.0 |  0.00
Modify  | 0.80952    | 0.80952    | 0.80952    |   0.0 |  0.15
Other   |            | 0.1281     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19192e+06 ave 2.19192e+06 max 2.19192e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191916
Ave neighs/atom = 273.98950
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.835169332054, Press = 0.294756160283985
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   60000   -58120.356   -58120.356   -58444.362   -58444.362    313.36648    313.36648    45663.324    45663.324    1120.0981    1120.0981 
   61000   -58110.811   -58110.811    -58432.77    -58432.77    311.38694    311.38694    45688.702    45688.702   -694.91067   -694.91067 
Loop time of 831.356 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.104 ns/day, 230.932 hours/ns, 1.203 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 829.74     | 829.74     | 829.74     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.21816    | 0.21816    | 0.21816    |   0.0 |  0.03
Output  | 0.0002257  | 0.0002257  | 0.0002257  |   0.0 |  0.00
Modify  | 1.2177     | 1.2177     | 1.2177     |   0.0 |  0.15
Other   |            | 0.1829     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19193e+06 ave 2.19193e+06 max 2.19193e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191928
Ave neighs/atom = 273.99100
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 = 312.826229038852, Press = -1.18595238379188
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   61000   -58110.811   -58110.811    -58432.77    -58432.77    311.38694    311.38694    45688.702    45688.702   -694.91067   -694.91067 
   62000   -58108.899   -58108.899   -58434.183   -58434.183    314.60298    314.60298    45677.339    45677.339     391.7721     391.7721 
Loop time of 848.19 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.102 ns/day, 235.608 hours/ns, 1.179 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 846.57     | 846.57     | 846.57     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.22187    | 0.22187    | 0.22187    |   0.0 |  0.03
Output  | 0.00022998 | 0.00022998 | 0.00022998 |   0.0 |  0.00
Modify  | 1.2187     | 1.2187     | 1.2187     |   0.0 |  0.14
Other   |            | 0.1786     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19192e+06 ave 2.19192e+06 max 2.19192e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191920
Ave neighs/atom = 273.99000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.81162861842, Press = 0.801164967354838
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   62000   -58108.899   -58108.899   -58434.183   -58434.183    314.60298    314.60298    45677.339    45677.339     391.7721     391.7721 
   63000   -58114.386   -58114.386   -58436.758   -58436.758     311.7866     311.7866    45679.296    45679.296    121.62005    121.62005 
Loop time of 809.55 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.107 ns/day, 224.875 hours/ns, 1.235 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 808.02     | 808.02     | 808.02     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.21456    | 0.21456    | 0.21456    |   0.0 |  0.03
Output  | 0.00023481 | 0.00023481 | 0.00023481 |   0.0 |  0.00
Modify  | 1.1499     | 1.1499     | 1.1499     |   0.0 |  0.14
Other   |            | 0.1692     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19194e+06 ave 2.19194e+06 max 2.19194e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191940
Ave neighs/atom = 273.99250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.828992679062, Press = -2.16741127249671
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   63000   -58114.386   -58114.386   -58436.758   -58436.758     311.7866     311.7866    45679.296    45679.296    121.62005    121.62005 
   64000    -58108.92    -58108.92   -58432.002   -58432.002    312.47273    312.47273    45695.045    45695.045   -1052.1627   -1052.1627 
Loop time of 843.3 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.102 ns/day, 234.250 hours/ns, 1.186 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    | 841.69     | 841.69     | 841.69     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.22112    | 0.22112    | 0.22112    |   0.0 |  0.03
Output  | 0.00022489 | 0.00022489 | 0.00022489 |   0.0 |  0.00
Modify  | 1.2138     | 1.2138     | 1.2138     |   0.0 |  0.14
Other   |            | 0.1778     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19194e+06 ave 2.19194e+06 max 2.19194e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191940
Ave neighs/atom = 273.99250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.858352514223, Press = 1.32117545395011
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   64000    -58108.92    -58108.92   -58432.002   -58432.002    312.47273    312.47273    45695.045    45695.045   -1052.1627   -1052.1627 
   65000   -58116.076   -58116.076   -58440.485   -58440.485    313.75705    313.75705    45670.978    45670.978    769.14131    769.14131 
Loop time of 824.124 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.105 ns/day, 228.923 hours/ns, 1.213 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 822.56     | 822.56     | 822.56     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.21711    | 0.21711    | 0.21711    |   0.0 |  0.03
Output  | 0.00021469 | 0.00021469 | 0.00021469 |   0.0 |  0.00
Modify  | 1.1751     | 1.1751     | 1.1751     |   0.0 |  0.14
Other   |            | 0.1726     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19193e+06 ave 2.19193e+06 max 2.19193e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191928
Ave neighs/atom = 273.99100
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 = 312.883672574326, Press = -1.02519880936166
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   65000   -58116.076   -58116.076   -58440.485   -58440.485    313.75705    313.75705    45670.978    45670.978    769.14131    769.14131 
   66000   -58103.191   -58103.191    -58429.96    -58429.96    316.03961    316.03961    45694.421    45694.421   -727.45685   -727.45685 
Loop time of 831.176 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.104 ns/day, 230.882 hours/ns, 1.203 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 829.59     | 829.59     | 829.59     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.21838    | 0.21838    | 0.21838    |   0.0 |  0.03
Output  | 0.0002391  | 0.0002391  | 0.0002391  |   0.0 |  0.00
Modify  | 1.1902     | 1.1902     | 1.1902     |   0.0 |  0.14
Other   |            | 0.1749     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19195e+06 ave 2.19195e+06 max 2.19195e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191954
Ave neighs/atom = 273.99425
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.901620642213, Press = 0.0402187530114365
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   66000   -58103.191   -58103.191    -58429.96    -58429.96    316.03961    316.03961    45694.421    45694.421   -727.45685   -727.45685 
   67000   -58111.185   -58111.185   -58432.542   -58432.542    310.80432    310.80432      45670.8      45670.8    1064.4299    1064.4299 
Loop time of 864.148 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.100 ns/day, 240.041 hours/ns, 1.157 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 862.49     | 862.49     | 862.49     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.22534    | 0.22534    | 0.22534    |   0.0 |  0.03
Output  | 0.00022445 | 0.00022445 | 0.00022445 |   0.0 |  0.00
Modify  | 1.2505     | 1.2505     | 1.2505     |   0.0 |  0.14
Other   |            | 0.1827     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19195e+06 ave 2.19195e+06 max 2.19195e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191946
Ave neighs/atom = 273.99325
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.915858474156, Press = -0.621709408951784
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   67000   -58111.185   -58111.185   -58432.542   -58432.542    310.80432    310.80432      45670.8      45670.8    1064.4299    1064.4299 
   68000   -58112.652   -58112.652   -58432.406   -58432.406    309.25465    309.25465    45705.548    45705.548   -2135.6181   -2135.6181 
Loop time of 835.066 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.103 ns/day, 231.963 hours/ns, 1.198 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    | 833.47     | 833.47     | 833.47     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.21997    | 0.21997    | 0.21997    |   0.0 |  0.03
Output  | 0.00021681 | 0.00021681 | 0.00021681 |   0.0 |  0.00
Modify  | 1.1957     | 1.1957     | 1.1957     |   0.0 |  0.14
Other   |            | 0.1747     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19195e+06 ave 2.19195e+06 max 2.19195e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191952
Ave neighs/atom = 273.99400
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 = 312.925133265614, Press = 0.0120023350365883
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   68000   -58112.652   -58112.652   -58432.406   -58432.406    309.25465    309.25465    45705.548    45705.548   -2135.6181   -2135.6181 
   69000    -58108.49    -58108.49   -58433.235   -58433.235    314.08107    314.08107    45639.766    45639.766    4108.0908    4108.0908 
Loop time of 837.325 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.103 ns/day, 232.590 hours/ns, 1.194 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 835.73     | 835.73     | 835.73     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.22029    | 0.22029    | 0.22029    |   0.0 |  0.03
Output  | 0.00023832 | 0.00023832 | 0.00023832 |   0.0 |  0.00
Modify  | 1.1992     | 1.1992     | 1.1992     |   0.0 |  0.14
Other   |            | 0.1759     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19194e+06 ave 2.19194e+06 max 2.19194e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191938
Ave neighs/atom = 273.99225
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.931046196095, Press = -0.594949933273873
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   69000    -58108.49    -58108.49   -58433.235   -58433.235    314.08107    314.08107    45639.766    45639.766    4108.0908    4108.0908 
   70000   -58104.407   -58104.407   -58431.896   -58431.896     316.7352     316.7352     45724.17     45724.17   -3697.8315   -3697.8315 
Loop time of 830.247 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.104 ns/day, 230.624 hours/ns, 1.204 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 828.64     | 828.64     | 828.64     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.21657    | 0.21657    | 0.21657    |   0.0 |  0.03
Output  | 0.00021523 | 0.00021523 | 0.00021523 |   0.0 |  0.00
Modify  | 1.2065     | 1.2065     | 1.2065     |   0.0 |  0.15
Other   |            | 0.1791     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19197e+06 ave 2.19197e+06 max 2.19197e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191970
Ave neighs/atom = 273.99625
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.942126295647, Press = -0.328150664058878
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   70000   -58104.407   -58104.407   -58431.896   -58431.896     316.7352     316.7352     45724.17     45724.17   -3697.8315   -3697.8315 
   71000   -58116.807   -58116.807   -58438.586   -58438.586     311.2127     311.2127    45649.493    45649.493    2718.0176    2718.0176 
Loop time of 833.61 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.104 ns/day, 231.558 hours/ns, 1.200 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 832.02     | 832.02     | 832.02     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.2189     | 0.2189     | 0.2189     |   0.0 |  0.03
Output  | 0.00021404 | 0.00021404 | 0.00021404 |   0.0 |  0.00
Modify  | 1.1955     | 1.1955     | 1.1955     |   0.0 |  0.14
Other   |            | 0.1753     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19192e+06 ave 2.19192e+06 max 2.19192e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191918
Ave neighs/atom = 273.98975
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
jump SELF break

# Write final averaged volume to file if temperature and volume have converged; otherwise wirte a
# flag to indicate non-convergence.
variable      myStep equal step
if "${myStep} < 2000000" then "print '${V}'  file output/vol_T313.15.out"  else  "print 'not_converged'  file output/vol_T313.15.out"
print '${V}'  file output/vol_T313.15.out
45680.4973628079

print "LAMMPS calculation completed"
LAMMPS calculation completed
quit 0