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

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

# create a supercell with cubic lattice (fcc, bcc, sc, or diamond)
# using 10*10*10 conventional (orthogonal) unit cells
variable latticeconst_converted equal 2.999911956489086*${_u_distance}
variable latticeconst_converted equal 2.999911956489086*1
lattice       bcc  ${latticeconst_converted}
lattice       bcc  2.99991195648909
Lattice spacing in x,y,z = 2.999912 2.999912 2.999912
region        simbox  block 0 10 0 10 0 10 units lattice
create_box    1 simbox
Created orthogonal box = (0 0 0) to (29.99912 29.99912 29.99912)
  1 by 1 by 1 MPI processor grid
create_atoms  1 box
Created 2000 atoms
  using lattice units in orthogonal box = (0 0 0) to (29.99912 29.99912 29.99912)
  create_atoms CPU = 0.000 seconds

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

kim_interactions V

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

kim interactions V
#=== BEGIN kim interactions ==================================
pair_style kim MEAM_LAMMPS_MaiselKoZhang_2017_VNiTi__MO_744610363128_002
pair_coeff * * V
#=== END kim interactions ====================================


mass          1 ${mass_converted}
mass          1 50.9415

# initial volume
variable      v equal vol        # assign formula
variable      V0 equal ${v}    # evaluate initial value
variable      V0 equal 26997.6228949697    
variable      V0_metal equal ${V0}/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 26997.6228949697/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 26997.6228949697/(1*${_u_distance}*${_u_distance})
variable      V0_metal equal 26997.6228949697/(1*1*${_u_distance})
variable      V0_metal equal 26997.6228949697/(1*1*1)
variable      V0_metal_times1000 equal ${V0_metal}*1000
variable      V0_metal_times1000 equal 26997.6228949697*1000

print "Initial system volume: ${V0_metal} Angstroms^3"
Initial system volume: 26997.6228949697 Angstroms^3

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

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

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

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

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

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

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

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

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

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

Your simulation uses code contributions which should be cited:

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

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

- OpenKIM potential: https://openkim.org/cite/MO_744610363128_002#item-citation

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

Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
         0  -10534.589     -10534.589     -10600         -10600          253.15         253.15         26997.623      26997.623      2587.9327      2587.9327    
      1000  -10469.798     -10469.798     -10532.255     -10532.255      241.71658      241.71658      27143.424      27143.424      551.61261      551.61261    
Loop time of 48.0993 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.796 ns/day, 13.361 hours/ns, 20.790 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 48.017     | 48.017     | 48.017     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015455   | 0.015455   | 0.015455   |   0.0 |  0.03
Output  | 0.00015788 | 0.00015788 | 0.00015788 |   0.0 |  0.00
Modify  | 0.060482   | 0.060482   | 0.060482   |   0.0 |  0.13
Other   |            | 0.005908   |            |       |  0.01

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

Total # of neighbors = 224000
Ave neighs/atom = 112
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
      1000  -10469.798     -10469.798     -10532.255     -10532.255      241.71658      241.71658      27143.424      27143.424      551.61261      551.61261    
      2000  -10468.325     -10468.325     -10529.357     -10529.357      236.20154      236.20154      27175.597      27175.597     -1293.5809     -1293.5809    
Loop time of 49.9146 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.731 ns/day, 13.865 hours/ns, 20.034 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.834     | 49.834     | 49.834     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014996   | 0.014996   | 0.014996   |   0.0 |  0.03
Output  | 6.6885e-05 | 6.6885e-05 | 6.6885e-05 |   0.0 |  0.00
Modify  | 0.059515   | 0.059515   | 0.059515   |   0.0 |  0.12
Other   |            | 0.005542   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223928 ave      223928 max      223928 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223928
Ave neighs/atom = 111.964
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
      2000  -10468.325     -10468.325     -10529.357     -10529.357      236.20154      236.20154      27175.597      27175.597     -1293.5809     -1293.5809    
      3000  -10471.06      -10471.06      -10539.407     -10539.407      264.50903      264.50903      27170.485      27170.485     -1459.7958     -1459.7958    
Loop time of 50.053 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.726 ns/day, 13.904 hours/ns, 19.979 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.973     | 49.973     | 49.973     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015031   | 0.015031   | 0.015031   |   0.0 |  0.03
Output  | 4.773e-05  | 4.773e-05  | 4.773e-05  |   0.0 |  0.00
Modify  | 0.059498   | 0.059498   | 0.059498   |   0.0 |  0.12
Other   |            | 0.005534   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223884 ave      223884 max      223884 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223884
Ave neighs/atom = 111.942
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
      3000  -10471.06      -10471.06      -10539.407     -10539.407      264.50903      264.50903      27170.485      27170.485     -1459.7958     -1459.7958    
      4000  -10467.794     -10467.794     -10536.166     -10536.166      264.60867      264.60867      27138.296      27138.296      841.29139      841.29139    
Loop time of 50.0755 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.725 ns/day, 13.910 hours/ns, 19.970 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.995     | 49.995     | 49.995     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015027   | 0.015027   | 0.015027   |   0.0 |  0.03
Output  | 6.8198e-05 | 6.8198e-05 | 6.8198e-05 |   0.0 |  0.00
Modify  | 0.059574   | 0.059574   | 0.059574   |   0.0 |  0.12
Other   |            | 0.005549   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223944 ave      223944 max      223944 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223944
Ave neighs/atom = 111.972
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
      4000  -10467.794     -10467.794     -10536.166     -10536.166      264.60867      264.60867      27138.296      27138.296      841.29139      841.29139    
      5000  -10471.098     -10471.098     -10537.797     -10537.797      258.13146      258.13146      27090.87       27090.87       3097.9206      3097.9206    
Loop time of 50.1722 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.722 ns/day, 13.937 hours/ns, 19.931 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 50.092     | 50.092     | 50.092     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015067   | 0.015067   | 0.015067   |   0.0 |  0.03
Output  | 4.0637e-05 | 4.0637e-05 | 4.0637e-05 |   0.0 |  0.00
Modify  | 0.059992   | 0.059992   | 0.059992   |   0.0 |  0.12
Other   |            | 0.005546   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223944 ave      223944 max      223944 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223944
Ave neighs/atom = 111.972
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 251.209992330528, Press = -1230.02552347832
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
      5000  -10471.098     -10471.098     -10537.797     -10537.797      258.13146      258.13146      27090.87       27090.87       3097.9206      3097.9206    
      6000  -10466.324     -10466.324     -10533.929     -10533.929      261.63672      261.63672      27171.151      27171.151     -805.70647     -805.70647    
Loop time of 50.0013 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.728 ns/day, 13.889 hours/ns, 19.999 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.918     | 49.918     | 49.918     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015165   | 0.015165   | 0.015165   |   0.0 |  0.03
Output  | 5.3441e-05 | 5.3441e-05 | 5.3441e-05 |   0.0 |  0.00
Modify  | 0.062105   | 0.062105   | 0.062105   |   0.0 |  0.12
Other   |            | 0.005593   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223954 ave      223954 max      223954 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223954
Ave neighs/atom = 111.977
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.739012446141, Press = -134.209972837341
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
      6000  -10466.324     -10466.324     -10533.929     -10533.929      261.63672      261.63672      27171.151      27171.151     -805.70647     -805.70647    
      7000  -10468.952     -10468.952     -10531.817     -10531.817      243.29331      243.29331      27179.978      27179.978     -1423.1848     -1423.1848    
Loop time of 50.006 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.728 ns/day, 13.891 hours/ns, 19.998 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.923     | 49.923     | 49.923     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015065   | 0.015065   | 0.015065   |   0.0 |  0.03
Output  | 5.7949e-05 | 5.7949e-05 | 5.7949e-05 |   0.0 |  0.00
Modify  | 0.062211   | 0.062211   | 0.062211   |   0.0 |  0.12
Other   |            | 0.005579   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223934 ave      223934 max      223934 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223934
Ave neighs/atom = 111.967
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 254.442366316158, Press = -38.0694681038178
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
      7000  -10468.952     -10468.952     -10531.817     -10531.817      243.29331      243.29331      27179.978      27179.978     -1423.1848     -1423.1848    
      8000  -10467.941     -10467.941     -10533.907     -10533.907      255.29479      255.29479      27152.852      27152.852     -19.198554     -19.198554    
Loop time of 49.9902 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.728 ns/day, 13.886 hours/ns, 20.004 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.907     | 49.907     | 49.907     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015035   | 0.015035   | 0.015035   |   0.0 |  0.03
Output  | 4.9203e-05 | 4.9203e-05 | 4.9203e-05 |   0.0 |  0.00
Modify  | 0.062153   | 0.062153   | 0.062153   |   0.0 |  0.12
Other   |            | 0.005571   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223898 ave      223898 max      223898 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223898
Ave neighs/atom = 111.949
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 254.504855872177, Press = -17.2548332941902
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
      8000  -10467.941     -10467.941     -10533.907     -10533.907      255.29479      255.29479      27152.852      27152.852     -19.198554     -19.198554    
      9000  -10469.029     -10469.029     -10535.041     -10535.041      255.47329      255.47329      27118.546      27118.546      1916.8875      1916.8875    
Loop time of 50.0968 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.725 ns/day, 13.916 hours/ns, 19.961 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 50.014     | 50.014     | 50.014     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015034   | 0.015034   | 0.015034   |   0.0 |  0.03
Output  | 3.6729e-05 | 3.6729e-05 | 3.6729e-05 |   0.0 |  0.00
Modify  | 0.062061   | 0.062061   | 0.062061   |   0.0 |  0.12
Other   |            | 0.005546   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223934 ave      223934 max      223934 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223934
Ave neighs/atom = 111.967
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 254.566827580878, Press = -20.5333772187832
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
      9000  -10469.029     -10469.029     -10535.041     -10535.041      255.47329      255.47329      27118.546      27118.546      1916.8875      1916.8875    
     10000  -10469.092     -10469.092     -10535.565     -10535.565      257.25656      257.25656      27141.276      27141.276      537.95656      537.95656    
Loop time of 50.082 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.725 ns/day, 13.912 hours/ns, 19.967 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.999     | 49.999     | 49.999     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015044   | 0.015044   | 0.015044   |   0.0 |  0.03
Output  | 5.0124e-05 | 5.0124e-05 | 5.0124e-05 |   0.0 |  0.00
Modify  | 0.062035   | 0.062035   | 0.062035   |   0.0 |  0.12
Other   |            | 0.005531   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223930 ave      223930 max      223930 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223930
Ave neighs/atom = 111.965
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 254.027903249707, Press = -32.6614708821436
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     10000  -10469.092     -10469.092     -10535.565     -10535.565      257.25656      257.25656      27141.276      27141.276      537.95656      537.95656    
     11000  -10469.615     -10469.615     -10534.945     -10534.945      252.8331       252.8331       27214.114      27214.114     -3564.263      -3564.263     
Loop time of 50.0109 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.728 ns/day, 13.892 hours/ns, 19.996 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.928     | 49.928     | 49.928     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015092   | 0.015092   | 0.015092   |   0.0 |  0.03
Output  | 3.7731e-05 | 3.7731e-05 | 3.7731e-05 |   0.0 |  0.00
Modify  | 0.062022   | 0.062022   | 0.062022   |   0.0 |  0.12
Other   |            | 0.005548   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223946 ave      223946 max      223946 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223946
Ave neighs/atom = 111.973
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.934607528461, Press = -19.5501174614338
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     11000  -10469.615     -10469.615     -10534.945     -10534.945      252.8331       252.8331       27214.114      27214.114     -3564.263      -3564.263     
     12000  -10468.323     -10468.323     -10535.05      -10535.05       258.2382       258.2382       27163.462      27163.462     -623.88726     -623.88726    
Loop time of 50.1094 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.724 ns/day, 13.919 hours/ns, 19.956 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 50.027     | 50.027     | 50.027     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01502    | 0.01502    | 0.01502    |   0.0 |  0.03
Output  | 5.4121e-05 | 5.4121e-05 | 5.4121e-05 |   0.0 |  0.00
Modify  | 0.062055   | 0.062055   | 0.062055   |   0.0 |  0.12
Other   |            | 0.005584   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223940 ave      223940 max      223940 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223940
Ave neighs/atom = 111.97
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.46334770293, Press = -6.75729103746895
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     12000  -10468.323     -10468.323     -10535.05      -10535.05       258.2382       258.2382       27163.462      27163.462     -623.88726     -623.88726    
     13000  -10470.078     -10470.078     -10535.227     -10535.227      252.13208      252.13208      27130.179      27130.179      1069.6929      1069.6929    
Loop time of 50.035 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.727 ns/day, 13.899 hours/ns, 19.986 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.952     | 49.952     | 49.952     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015051   | 0.015051   | 0.015051   |   0.0 |  0.03
Output  | 5.3681e-05 | 5.3681e-05 | 5.3681e-05 |   0.0 |  0.00
Modify  | 0.061988   | 0.061988   | 0.061988   |   0.0 |  0.12
Other   |            | 0.00556    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223934 ave      223934 max      223934 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223934
Ave neighs/atom = 111.967
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.36895957738, Press = -7.86019226846846
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     13000  -10470.078     -10470.078     -10535.227     -10535.227      252.13208      252.13208      27130.179      27130.179      1069.6929      1069.6929    
     14000  -10469.039     -10469.039     -10532.18      -10532.18       244.36092      244.36092      27130.938      27130.938      1291.7822      1291.7822    
Loop time of 50.0861 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.725 ns/day, 13.913 hours/ns, 19.966 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 50.004     | 50.004     | 50.004     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014964   | 0.014964   | 0.014964   |   0.0 |  0.03
Output  | 9.2995e-05 | 9.2995e-05 | 9.2995e-05 |   0.0 |  0.00
Modify  | 0.061922   | 0.061922   | 0.061922   |   0.0 |  0.12
Other   |            | 0.005576   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223970 ave      223970 max      223970 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223970
Ave neighs/atom = 111.985
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.612269270673, Press = -11.9639758787189
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     14000  -10469.039     -10469.039     -10532.18      -10532.18       244.36092      244.36092      27130.938      27130.938      1291.7822      1291.7822    
     15000  -10469.526     -10469.526     -10535.194     -10535.194      254.14308      254.14308      27174.085      27174.085     -1345.0675     -1345.0675    
Loop time of 49.9426 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.730 ns/day, 13.873 hours/ns, 20.023 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.86      | 49.86      | 49.86      |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015032   | 0.015032   | 0.015032   |   0.0 |  0.03
Output  | 3.7881e-05 | 3.7881e-05 | 3.7881e-05 |   0.0 |  0.00
Modify  | 0.061963   | 0.061963   | 0.061963   |   0.0 |  0.12
Other   |            | 0.005548   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223936 ave      223936 max      223936 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223936
Ave neighs/atom = 111.968
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.509557074283, Press = -13.3287562894846
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     15000  -10469.526     -10469.526     -10535.194     -10535.194      254.14308      254.14308      27174.085      27174.085     -1345.0675     -1345.0675    
     16000  -10469.524     -10469.524     -10534.255     -10534.255      250.51435      250.51435      27205.292      27205.292     -3168.7832     -3168.7832    
Loop time of 50.0184 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.727 ns/day, 13.894 hours/ns, 19.993 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.936     | 49.936     | 49.936     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015081   | 0.015081   | 0.015081   |   0.0 |  0.03
Output  | 5.322e-05  | 5.322e-05  | 5.322e-05  |   0.0 |  0.00
Modify  | 0.06207    | 0.06207    | 0.06207    |   0.0 |  0.12
Other   |            | 0.005561   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223948 ave      223948 max      223948 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223948
Ave neighs/atom = 111.974
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.579579667917, Press = -4.99938954371757
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     16000  -10469.524     -10469.524     -10534.255     -10534.255      250.51435      250.51435      27205.292      27205.292     -3168.7832     -3168.7832    
     17000  -10466.703     -10466.703     -10533.455     -10533.455      258.33583      258.33583      27145.464      27145.464      350.84251      350.84251    
Loop time of 50.0847 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.725 ns/day, 13.912 hours/ns, 19.966 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 50.002     | 50.002     | 50.002     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015052   | 0.015052   | 0.015052   |   0.0 |  0.03
Output  | 3.6558e-05 | 3.6558e-05 | 3.6558e-05 |   0.0 |  0.00
Modify  | 0.062027   | 0.062027   | 0.062027   |   0.0 |  0.12
Other   |            | 0.005564   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223922 ave      223922 max      223922 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223922
Ave neighs/atom = 111.961
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.583855294972, Press = -3.20683958774509
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     17000  -10466.703     -10466.703     -10533.455     -10533.455      258.33583      258.33583      27145.464      27145.464      350.84251      350.84251    
     18000  -10469.665     -10469.665     -10537.829     -10537.829      263.80083      263.80083      27138.56       27138.56       527.36831      527.36831    
Loop time of 50.0315 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.727 ns/day, 13.898 hours/ns, 19.987 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.949     | 49.949     | 49.949     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015085   | 0.015085   | 0.015085   |   0.0 |  0.03
Output  | 5.3961e-05 | 5.3961e-05 | 5.3961e-05 |   0.0 |  0.00
Modify  | 0.061978   | 0.061978   | 0.061978   |   0.0 |  0.12
Other   |            | 0.00559    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223926 ave      223926 max      223926 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223926
Ave neighs/atom = 111.963
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.768723484802, Press = -6.29445806107233
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     18000  -10469.665     -10469.665     -10537.829     -10537.829      263.80083      263.80083      27138.56       27138.56       527.36831      527.36831    
     19000  -10466.273     -10466.273     -10533.007     -10533.007      258.26673      258.26673      27159.691      27159.691     -155.58763     -155.58763    
Loop time of 49.9291 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.730 ns/day, 13.869 hours/ns, 20.028 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.846     | 49.846     | 49.846     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015115   | 0.015115   | 0.015115   |   0.0 |  0.03
Output  | 5.1617e-05 | 5.1617e-05 | 5.1617e-05 |   0.0 |  0.00
Modify  | 0.06194    | 0.06194    | 0.06194    |   0.0 |  0.12
Other   |            | 0.005575   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223946 ave      223946 max      223946 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223946
Ave neighs/atom = 111.973
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.793293338665, Press = -7.73025355692443
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     19000  -10466.273     -10466.273     -10533.007     -10533.007      258.26673      258.26673      27159.691      27159.691     -155.58763     -155.58763    
     20000  -10468.939     -10468.939     -10532.216     -10532.216      244.88963      244.88963      27188.834      27188.834     -2038.5918     -2038.5918    
Loop time of 50.063 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.726 ns/day, 13.906 hours/ns, 19.975 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.98      | 49.98      | 49.98      |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015127   | 0.015127   | 0.015127   |   0.0 |  0.03
Output  | 4.9293e-05 | 4.9293e-05 | 4.9293e-05 |   0.0 |  0.00
Modify  | 0.061977   | 0.061977   | 0.061977   |   0.0 |  0.12
Other   |            | 0.005592   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223956 ave      223956 max      223956 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223956
Ave neighs/atom = 111.978
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.81237703531, Press = -5.91019420542295
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     20000  -10468.939     -10468.939     -10532.216     -10532.216      244.88963      244.88963      27188.834      27188.834     -2038.5918     -2038.5918    
     21000  -10469.826     -10469.826     -10536.811     -10536.811      259.23926      259.23926      27161.059      27161.059     -715.36632     -715.36632    
Loop time of 50.0573 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.726 ns/day, 13.905 hours/ns, 19.977 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.975     | 49.975     | 49.975     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01508    | 0.01508    | 0.01508    |   0.0 |  0.03
Output  | 3.714e-05  | 3.714e-05  | 3.714e-05  |   0.0 |  0.00
Modify  | 0.062052   | 0.062052   | 0.062052   |   0.0 |  0.12
Other   |            | 0.005565   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223940 ave      223940 max      223940 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223940
Ave neighs/atom = 111.97
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.646664772461, Press = -0.43020211592175
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     21000  -10469.826     -10469.826     -10536.811     -10536.811      259.23926      259.23926      27161.059      27161.059     -715.36632     -715.36632    
     22000  -10470.738     -10470.738     -10539.482     -10539.482      266.04655      266.04655      27113.025      27113.025      1882.1         1882.1       
Loop time of 50.036 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.727 ns/day, 13.899 hours/ns, 19.986 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.953     | 49.953     | 49.953     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015011   | 0.015011   | 0.015011   |   0.0 |  0.03
Output  | 5.4682e-05 | 5.4682e-05 | 5.4682e-05 |   0.0 |  0.00
Modify  | 0.061982   | 0.061982   | 0.061982   |   0.0 |  0.12
Other   |            | 0.005581   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223958 ave      223958 max      223958 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223958
Ave neighs/atom = 111.979
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.56029298389, Press = -4.19105887673012
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     22000  -10470.738     -10470.738     -10539.482     -10539.482      266.04655      266.04655      27113.025      27113.025      1882.1         1882.1       
     23000  -10465.668     -10465.668     -10533.304     -10533.304      261.7591       261.7591       27154.999      27154.999      25.973839      25.973839    
Loop time of 50.0327 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.727 ns/day, 13.898 hours/ns, 19.987 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.95      | 49.95      | 49.95      |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015      | 0.015      | 0.015      |   0.0 |  0.03
Output  | 3.749e-05  | 3.749e-05  | 3.749e-05  |   0.0 |  0.00
Modify  | 0.06191    | 0.06191    | 0.06191    |   0.0 |  0.12
Other   |            | 0.005581   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223946 ave      223946 max      223946 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223946
Ave neighs/atom = 111.973
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.599945663999, Press = -5.63245117493312
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     23000  -10465.668     -10465.668     -10533.304     -10533.304      261.7591       261.7591       27154.999      27154.999      25.973839      25.973839    
     24000  -10469.953     -10469.953     -10536.281     -10536.281      256.69788      256.69788      27163.743      27163.743     -779.17744     -779.17744    
Loop time of 50.0551 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.726 ns/day, 13.904 hours/ns, 19.978 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.972     | 49.972     | 49.972     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015061   | 0.015061   | 0.015061   |   0.0 |  0.03
Output  | 5.5184e-05 | 5.5184e-05 | 5.5184e-05 |   0.0 |  0.00
Modify  | 0.061996   | 0.061996   | 0.061996   |   0.0 |  0.12
Other   |            | 0.00562    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223936 ave      223936 max      223936 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223936
Ave neighs/atom = 111.968
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.648401979518, Press = -4.82512179128213
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     24000  -10469.953     -10469.953     -10536.281     -10536.281      256.69788      256.69788      27163.743      27163.743     -779.17744     -779.17744    
     25000  -10466.579     -10466.579     -10532.848     -10532.848      256.46894      256.46894      27161.518      27161.518     -406.89215     -406.89215    
Loop time of 50.069 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.726 ns/day, 13.908 hours/ns, 19.972 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.986     | 49.986     | 49.986     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015022   | 0.015022   | 0.015022   |   0.0 |  0.03
Output  | 5.2078e-05 | 5.2078e-05 | 5.2078e-05 |   0.0 |  0.00
Modify  | 0.061948   | 0.061948   | 0.061948   |   0.0 |  0.12
Other   |            | 0.005577   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223952 ave      223952 max      223952 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223952
Ave neighs/atom = 111.976
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.729191875145, Press = -3.53816130200472
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     25000  -10466.579     -10466.579     -10532.848     -10532.848      256.46894      256.46894      27161.518      27161.518     -406.89215     -406.89215    
     26000  -10468.888     -10468.888     -10533.641     -10533.641      250.59997      250.59997      27130.672      27130.672      1140.6441      1140.6441    
Loop time of 50.075 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.725 ns/day, 13.910 hours/ns, 19.970 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.992     | 49.992     | 49.992     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014983   | 0.014983   | 0.014983   |   0.0 |  0.03
Output  | 5.1847e-05 | 5.1847e-05 | 5.1847e-05 |   0.0 |  0.00
Modify  | 0.061959   | 0.061959   | 0.061959   |   0.0 |  0.12
Other   |            | 0.005564   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223952 ave      223952 max      223952 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223952
Ave neighs/atom = 111.976
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.764398995814, Press = -2.54896408560717
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     26000  -10468.888     -10468.888     -10533.641     -10533.641      250.59997      250.59997      27130.672      27130.672      1140.6441      1140.6441    
     27000  -10469.132     -10469.132     -10534.248     -10534.248      252.00365      252.00365      27114.644      27114.644      2211.0878      2211.0878    
Loop time of 50.0917 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.725 ns/day, 13.914 hours/ns, 19.963 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 50.009     | 50.009     | 50.009     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015024   | 0.015024   | 0.015024   |   0.0 |  0.03
Output  | 3.7391e-05 | 3.7391e-05 | 3.7391e-05 |   0.0 |  0.00
Modify  | 0.06197    | 0.06197    | 0.06197    |   0.0 |  0.12
Other   |            | 0.005556   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223936 ave      223936 max      223936 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223936
Ave neighs/atom = 111.968
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.819523997697, Press = -5.13676984574807
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     27000  -10469.132     -10469.132     -10534.248     -10534.248      252.00365      252.00365      27114.644      27114.644      2211.0878      2211.0878    
     28000  -10468.467     -10468.467     -10535.983     -10535.983      261.292        261.292        27170.738      27170.738     -1053.0843     -1053.0843    
Loop time of 50.1009 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.725 ns/day, 13.917 hours/ns, 19.960 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 50.018     | 50.018     | 50.018     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015071   | 0.015071   | 0.015071   |   0.0 |  0.03
Output  | 5.6527e-05 | 5.6527e-05 | 5.6527e-05 |   0.0 |  0.00
Modify  | 0.062077   | 0.062077   | 0.062077   |   0.0 |  0.12
Other   |            | 0.005576   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223928 ave      223928 max      223928 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223928
Ave neighs/atom = 111.964
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.770447882632, Press = -6.03200016335651
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     28000  -10468.467     -10468.467     -10535.983     -10535.983      261.292        261.292        27170.738      27170.738     -1053.0843     -1053.0843    
     29000  -10472.018     -10472.018     -10535.797     -10535.797      246.83124      246.83124      27175.993      27175.993     -1522.3064     -1522.3064    
Loop time of 50.0913 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.725 ns/day, 13.914 hours/ns, 19.964 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 50.009     | 50.009     | 50.009     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015096   | 0.015096   | 0.015096   |   0.0 |  0.03
Output  | 5.327e-05  | 5.327e-05  | 5.327e-05  |   0.0 |  0.00
Modify  | 0.062057   | 0.062057   | 0.062057   |   0.0 |  0.12
Other   |            | 0.005583   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223954 ave      223954 max      223954 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223954
Ave neighs/atom = 111.977
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.681107780343, Press = -3.34093089898386
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     29000  -10472.018     -10472.018     -10535.797     -10535.797      246.83124      246.83124      27175.993      27175.993     -1522.3064     -1522.3064    
     30000  -10467.599     -10467.599     -10534.457     -10534.457      258.74581      258.74581      27153.796      27153.796      15.390289      15.390289    
Loop time of 50.1198 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.724 ns/day, 13.922 hours/ns, 19.952 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 50.037     | 50.037     | 50.037     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015099   | 0.015099   | 0.015099   |   0.0 |  0.03
Output  | 5.4142e-05 | 5.4142e-05 | 5.4142e-05 |   0.0 |  0.00
Modify  | 0.06211    | 0.06211    | 0.06211    |   0.0 |  0.12
Other   |            | 0.005547   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223954 ave      223954 max      223954 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223954
Ave neighs/atom = 111.977
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.64183180061, Press = -2.32623366440666
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     30000  -10467.599     -10467.599     -10534.457     -10534.457      258.74581      258.74581      27153.796      27153.796      15.390289      15.390289    
     31000  -10467.145     -10467.145     -10533.998     -10533.998      258.72866      258.72866      27142.522      27142.522      693.83465      693.83465    
Loop time of 50.0361 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.727 ns/day, 13.899 hours/ns, 19.986 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.953     | 49.953     | 49.953     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015095   | 0.015095   | 0.015095   |   0.0 |  0.03
Output  | 5.2128e-05 | 5.2128e-05 | 5.2128e-05 |   0.0 |  0.00
Modify  | 0.06203    | 0.06203    | 0.06203    |   0.0 |  0.12
Other   |            | 0.005538   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223942 ave      223942 max      223942 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223942
Ave neighs/atom = 111.971
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.640977526968, Press = -3.06703053333453
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     31000  -10467.145     -10467.145     -10533.998     -10533.998      258.72866      258.72866      27142.522      27142.522      693.83465      693.83465    
     32000  -10470.523     -10470.523     -10536.019     -10536.019      253.47645      253.47645      27144.657      27144.657      284.31201      284.31201    
Loop time of 50.2036 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.721 ns/day, 13.945 hours/ns, 19.919 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 50.121     | 50.121     | 50.121     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015012   | 0.015012   | 0.015012   |   0.0 |  0.03
Output  | 4.8381e-05 | 4.8381e-05 | 4.8381e-05 |   0.0 |  0.00
Modify  | 0.062063   | 0.062063   | 0.062063   |   0.0 |  0.12
Other   |            | 0.005561   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223936 ave      223936 max      223936 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223936
Ave neighs/atom = 111.968
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.671852414448, Press = -3.73925861339633
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     32000  -10470.523     -10470.523     -10536.019     -10536.019      253.47645      253.47645      27144.657      27144.657      284.31201      284.31201    
     33000  -10469.543     -10469.543     -10534.253     -10534.253      250.43191      250.43191      27156.807      27156.807     -224.42715     -224.42715    
Loop time of 50.0338 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.727 ns/day, 13.898 hours/ns, 19.986 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.951     | 49.951     | 49.951     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015067   | 0.015067   | 0.015067   |   0.0 |  0.03
Output  | 3.7049e-05 | 3.7049e-05 | 3.7049e-05 |   0.0 |  0.00
Modify  | 0.061971   | 0.061971   | 0.061971   |   0.0 |  0.12
Other   |            | 0.005556   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223972 ave      223972 max      223972 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223972
Ave neighs/atom = 111.986
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.686178212238, Press = -3.43045403823717
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     33000  -10469.543     -10469.543     -10534.253     -10534.253      250.43191      250.43191      27156.807      27156.807     -224.42715     -224.42715    
     34000  -10471.52      -10471.52      -10535.337     -10535.337      246.97639      246.97639      27166.126      27166.126     -875.41925     -875.41925    
Loop time of 50.0196 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.727 ns/day, 13.894 hours/ns, 19.992 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.937     | 49.937     | 49.937     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015035   | 0.015035   | 0.015035   |   0.0 |  0.03
Output  | 5.868e-05  | 5.868e-05  | 5.868e-05  |   0.0 |  0.00
Modify  | 0.062071   | 0.062071   | 0.062071   |   0.0 |  0.12
Other   |            | 0.005583   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223952 ave      223952 max      223952 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223952
Ave neighs/atom = 111.976
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.662567265503, Press = -2.99531519708643
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     34000  -10471.52      -10471.52      -10535.337     -10535.337      246.97639      246.97639      27166.126      27166.126     -875.41925     -875.41925    
     35000  -10468.809     -10468.809     -10533.651     -10533.651      250.94462      250.94462      27148.345      27148.345      272.18525      272.18525    
Loop time of 50.0692 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.726 ns/day, 13.908 hours/ns, 19.972 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.987     | 49.987     | 49.987     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015012   | 0.015012   | 0.015012   |   0.0 |  0.03
Output  | 3.8953e-05 | 3.8953e-05 | 3.8953e-05 |   0.0 |  0.00
Modify  | 0.061914   | 0.061914   | 0.061914   |   0.0 |  0.12
Other   |            | 0.005546   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223950 ave      223950 max      223950 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223950
Ave neighs/atom = 111.975
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.597053154474, Press = -1.60571882292315
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     35000  -10468.809     -10468.809     -10533.651     -10533.651      250.94462      250.94462      27148.345      27148.345      272.18525      272.18525    
     36000  -10471.637     -10471.637     -10535.606     -10535.606      247.56459      247.56459      27103.614      27103.614      2737.9295      2737.9295    
Loop time of 50.1004 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.725 ns/day, 13.917 hours/ns, 19.960 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 50.018     | 50.018     | 50.018     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015046   | 0.015046   | 0.015046   |   0.0 |  0.03
Output  | 5.2298e-05 | 5.2298e-05 | 5.2298e-05 |   0.0 |  0.00
Modify  | 0.061903   | 0.061903   | 0.061903   |   0.0 |  0.12
Other   |            | 0.00555    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223928 ave      223928 max      223928 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223928
Ave neighs/atom = 111.964
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.524819410677, Press = -2.6757421993003
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     36000  -10471.637     -10471.637     -10535.606     -10535.606      247.56459      247.56459      27103.614      27103.614      2737.9295      2737.9295    
     37000  -10469.333     -10469.333     -10534.138     -10534.138      250.80211      250.80211      27146.859      27146.859      322.75233      322.75233    
Loop time of 50.0526 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.726 ns/day, 13.904 hours/ns, 19.979 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.97      | 49.97      | 49.97      |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01496    | 0.01496    | 0.01496    |   0.0 |  0.03
Output  | 5.1657e-05 | 5.1657e-05 | 5.1657e-05 |   0.0 |  0.00
Modify  | 0.061954   | 0.061954   | 0.061954   |   0.0 |  0.12
Other   |            | 0.005573   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223956 ave      223956 max      223956 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223956
Ave neighs/atom = 111.978
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.500585050777, Press = -4.62341476098766
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     37000  -10469.333     -10469.333     -10534.138     -10534.138      250.80211      250.80211      27146.859      27146.859      322.75233      322.75233    
     38000  -10468.166     -10468.166     -10532.087     -10532.087      247.37786      247.37786      27178.559      27178.559     -1329.3523     -1329.3523    
Loop time of 50.0551 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.726 ns/day, 13.904 hours/ns, 19.978 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    | 49.973     | 49.973     | 49.973     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014988   | 0.014988   | 0.014988   |   0.0 |  0.03
Output  | 4.8521e-05 | 4.8521e-05 | 4.8521e-05 |   0.0 |  0.00
Modify  | 0.061946   | 0.061946   | 0.061946   |   0.0 |  0.12
Other   |            | 0.00556    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223918 ave      223918 max      223918 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223918
Ave neighs/atom = 111.959
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.484844568635, Press = -2.70234649104445
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     38000  -10468.166     -10468.166     -10532.087     -10532.087      247.37786      247.37786      27178.559      27178.559     -1329.3523     -1329.3523    
     39000  -10468.535     -10468.535     -10535.133     -10535.133      257.73906      257.73906      27157.044      27157.044     -215.10588     -215.10588    
Loop time of 50.0025 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.728 ns/day, 13.890 hours/ns, 19.999 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    | 49.92      | 49.92      | 49.92      |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015155   | 0.015155   | 0.015155   |   0.0 |  0.03
Output  | 3.6759e-05 | 3.6759e-05 | 3.6759e-05 |   0.0 |  0.00
Modify  | 0.06192    | 0.06192    | 0.06192    |   0.0 |  0.12
Other   |            | 0.005556   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223918 ave      223918 max      223918 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223918
Ave neighs/atom = 111.959
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.470856800913, Press = -2.08189383864379
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     39000  -10468.535     -10468.535     -10535.133     -10535.133      257.73906      257.73906      27157.044      27157.044     -215.10588     -215.10588    
     40000  -10471.805     -10471.805     -10535.984     -10535.984      248.38097      248.38097      27138.337      27138.337      717.67507      717.67507    
Loop time of 50.0028 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.728 ns/day, 13.890 hours/ns, 19.999 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.92      | 49.92      | 49.92      |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015026   | 0.015026   | 0.015026   |   0.0 |  0.03
Output  | 5.2238e-05 | 5.2238e-05 | 5.2238e-05 |   0.0 |  0.00
Modify  | 0.061939   | 0.061939   | 0.061939   |   0.0 |  0.12
Other   |            | 0.005584   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223938 ave      223938 max      223938 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223938
Ave neighs/atom = 111.969
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.401698694348, Press = -2.47030173703037
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     40000  -10471.805     -10471.805     -10535.984     -10535.984      248.38097      248.38097      27138.337      27138.337      717.67507      717.67507    
     41000  -10470.1       -10470.1       -10535.453     -10535.453      252.92449      252.92449      27144.19       27144.19       431.55504      431.55504    
Loop time of 50.0226 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.727 ns/day, 13.895 hours/ns, 19.991 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.94      | 49.94      | 49.94      |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014974   | 0.014974   | 0.014974   |   0.0 |  0.03
Output  | 5.2439e-05 | 5.2439e-05 | 5.2439e-05 |   0.0 |  0.00
Modify  | 0.061928   | 0.061928   | 0.061928   |   0.0 |  0.12
Other   |            | 0.005523   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223944 ave      223944 max      223944 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223944
Ave neighs/atom = 111.972
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.400184355391, Press = -2.84000101767351
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     41000  -10470.1       -10470.1       -10535.453     -10535.453      252.92449      252.92449      27144.19       27144.19       431.55504      431.55504    
     42000  -10468.052     -10468.052     -10534.991     -10534.991      259.0605       259.0605       27161.453      27161.453     -349.40936     -349.40936    
Loop time of 50.0898 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.725 ns/day, 13.914 hours/ns, 19.964 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 50.007     | 50.007     | 50.007     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015031   | 0.015031   | 0.015031   |   0.0 |  0.03
Output  | 3.5547e-05 | 3.5547e-05 | 3.5547e-05 |   0.0 |  0.00
Modify  | 0.061818   | 0.061818   | 0.061818   |   0.0 |  0.12
Other   |            | 0.00555    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223938 ave      223938 max      223938 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223938
Ave neighs/atom = 111.969
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.355274098714, Press = -3.16069494928768
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     42000  -10468.052     -10468.052     -10534.991     -10534.991      259.0605       259.0605       27161.453      27161.453     -349.40936     -349.40936    
     43000  -10469.032     -10469.032     -10533.91      -10533.91       251.08215      251.08215      27178.62       27178.62      -1364.2981     -1364.2981    
Loop time of 50.028 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.727 ns/day, 13.897 hours/ns, 19.989 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.946     | 49.946     | 49.946     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014992   | 0.014992   | 0.014992   |   0.0 |  0.03
Output  | 3.7631e-05 | 3.7631e-05 | 3.7631e-05 |   0.0 |  0.00
Modify  | 0.061804   | 0.061804   | 0.061804   |   0.0 |  0.12
Other   |            | 0.00554    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223952 ave      223952 max      223952 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223952
Ave neighs/atom = 111.976
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.321992759524, Press = -2.35292437872672
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     43000  -10469.032     -10469.032     -10533.91      -10533.91       251.08215      251.08215      27178.62       27178.62      -1364.2981     -1364.2981    
     44000  -10467.077     -10467.077     -10535.033     -10535.033      262.99739      262.99739      27153.935      27153.935      93.767644      93.767644    
Loop time of 50.0335 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.727 ns/day, 13.898 hours/ns, 19.987 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.951     | 49.951     | 49.951     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014937   | 0.014937   | 0.014937   |   0.0 |  0.03
Output  | 3.4134e-05 | 3.4134e-05 | 3.4134e-05 |   0.0 |  0.00
Modify  | 0.061803   | 0.061803   | 0.061803   |   0.0 |  0.12
Other   |            | 0.005481   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223946 ave      223946 max      223946 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223946
Ave neighs/atom = 111.973
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.292327882949, Press = -1.16043385974566
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     44000  -10467.077     -10467.077     -10535.033     -10535.033      262.99739      262.99739      27153.935      27153.935      93.767644      93.767644    
     45000  -10470.156     -10470.156     -10534.632     -10534.632      249.52852      249.52852      27102.369      27102.369      2870.6734      2870.6734    
Loop time of 50.1121 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.724 ns/day, 13.920 hours/ns, 19.955 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 50.03      | 50.03      | 50.03      |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014971   | 0.014971   | 0.014971   |   0.0 |  0.03
Output  | 2.2693e-05 | 2.2693e-05 | 2.2693e-05 |   0.0 |  0.00
Modify  | 0.061762   | 0.061762   | 0.061762   |   0.0 |  0.12
Other   |            | 0.005424   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223950 ave      223950 max      223950 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223950
Ave neighs/atom = 111.975
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.309057856393, Press = -2.13470131414318
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     45000  -10470.156     -10470.156     -10534.632     -10534.632      249.52852      249.52852      27102.369      27102.369      2870.6734      2870.6734    
     46000  -10469.002     -10469.002     -10535.269     -10535.269      256.46141      256.46141      27145.938      27145.938      416.59969      416.59969    
Loop time of 49.9344 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.730 ns/day, 13.871 hours/ns, 20.026 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.852     | 49.852     | 49.852     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015072   | 0.015072   | 0.015072   |   0.0 |  0.03
Output  | 3.6258e-05 | 3.6258e-05 | 3.6258e-05 |   0.0 |  0.00
Modify  | 0.061704   | 0.061704   | 0.061704   |   0.0 |  0.12
Other   |            | 0.005423   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223954 ave      223954 max      223954 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223954
Ave neighs/atom = 111.977
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.311991414226, Press = -3.92882956689519
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     46000  -10469.002     -10469.002     -10535.269     -10535.269      256.46141      256.46141      27145.938      27145.938      416.59969      416.59969    
     47000  -10468.776     -10468.776     -10534.372     -10534.372      253.8643       253.8643       27180.442      27180.442     -1532.1388     -1532.1388    
Loop time of 50.0838 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.725 ns/day, 13.912 hours/ns, 19.967 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 50.001     | 50.001     | 50.001     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015139   | 0.015139   | 0.015139   |   0.0 |  0.03
Output  | 3.5728e-05 | 3.5728e-05 | 3.5728e-05 |   0.0 |  0.00
Modify  | 0.061757   | 0.061757   | 0.061757   |   0.0 |  0.12
Other   |            | 0.005428   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223934 ave      223934 max      223934 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223934
Ave neighs/atom = 111.967
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.364191953189, Press = -2.47299356560051
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     47000  -10468.776     -10468.776     -10534.372     -10534.372      253.8643       253.8643       27180.442      27180.442     -1532.1388     -1532.1388    
     48000  -10469.047     -10469.047     -10534.414     -10534.414      252.97761      252.97761      27159.176      27159.176     -262.61942     -262.61942    
Loop time of 50.1091 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.724 ns/day, 13.919 hours/ns, 19.956 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 50.027     | 50.027     | 50.027     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014923   | 0.014923   | 0.014923   |   0.0 |  0.03
Output  | 3.5627e-05 | 3.5627e-05 | 3.5627e-05 |   0.0 |  0.00
Modify  | 0.061653   | 0.061653   | 0.061653   |   0.0 |  0.12
Other   |            | 0.005426   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223930 ave      223930 max      223930 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223930
Ave neighs/atom = 111.965
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.363222707291, Press = -1.60946474553845
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     48000  -10469.047     -10469.047     -10534.414     -10534.414      252.97761      252.97761      27159.176      27159.176     -262.61942     -262.61942    
     49000  -10467.62      -10467.62      -10533.786     -10533.786      256.07079      256.07079      27137.774      27137.774      995.62059      995.62059    
Loop time of 49.8917 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.732 ns/day, 13.859 hours/ns, 20.043 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.809     | 49.809     | 49.809     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015042   | 0.015042   | 0.015042   |   0.0 |  0.03
Output  | 3.5176e-05 | 3.5176e-05 | 3.5176e-05 |   0.0 |  0.00
Modify  | 0.061718   | 0.061718   | 0.061718   |   0.0 |  0.12
Other   |            | 0.005429   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223932 ave      223932 max      223932 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223932
Ave neighs/atom = 111.966
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.418221989851, Press = -1.91433976934211
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     49000  -10467.62      -10467.62      -10533.786     -10533.786      256.07079      256.07079      27137.774      27137.774      995.62059      995.62059    
     50000  -10469.328     -10469.328     -10535.884     -10535.884      257.57906      257.57906      27134.818      27134.818      986.78926      986.78926    
Loop time of 49.9793 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.729 ns/day, 13.883 hours/ns, 20.008 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    | 49.897     | 49.897     | 49.897     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014964   | 0.014964   | 0.014964   |   0.0 |  0.03
Output  | 4.4664e-05 | 4.4664e-05 | 4.4664e-05 |   0.0 |  0.00
Modify  | 0.061625   | 0.061625   | 0.061625   |   0.0 |  0.12
Other   |            | 0.005496   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223924 ave      223924 max      223924 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223924
Ave neighs/atom = 111.962
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.418338399826, Press = -2.82952111235828
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     50000  -10469.328     -10469.328     -10535.884     -10535.884      257.57906      257.57906      27134.818      27134.818      986.78926      986.78926    
     51000  -10465.596     -10465.596     -10532.029     -10532.029      257.10099      257.10099      27210.289      27210.289     -2949.3049     -2949.3049    
Loop time of 49.9666 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.729 ns/day, 13.880 hours/ns, 20.013 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    | 49.884     | 49.884     | 49.884     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014976   | 0.014976   | 0.014976   |   0.0 |  0.03
Output  | 2.2282e-05 | 2.2282e-05 | 2.2282e-05 |   0.0 |  0.00
Modify  | 0.061757   | 0.061757   | 0.061757   |   0.0 |  0.12
Other   |            | 0.00552    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223940 ave      223940 max      223940 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223940
Ave neighs/atom = 111.97
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.460506941073, Press = -3.42531690416643
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     51000  -10465.596     -10465.596     -10532.029     -10532.029      257.10099      257.10099      27210.289      27210.289     -2949.3049     -2949.3049    
     52000  -10469.782     -10469.782     -10535.168     -10535.168      253.05065      253.05065      27185.162      27185.162     -1888.7426     -1888.7426    
Loop time of 49.8145 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.734 ns/day, 13.837 hours/ns, 20.074 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    | 49.732     | 49.732     | 49.732     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014881   | 0.014881   | 0.014881   |   0.0 |  0.03
Output  | 6.2868e-05 | 6.2868e-05 | 6.2868e-05 |   0.0 |  0.00
Modify  | 0.061694   | 0.061694   | 0.061694   |   0.0 |  0.12
Other   |            | 0.005526   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223918 ave      223918 max      223918 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223918
Ave neighs/atom = 111.959
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.484871625255, Press = -1.04425655103028
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     52000  -10469.782     -10469.782     -10535.168     -10535.168      253.05065      253.05065      27185.162      27185.162     -1888.7426     -1888.7426    
     53000  -10468.709     -10468.709     -10534.782     -10534.782      255.7104       255.7104       27137.921      27137.921      860.74721      860.74721    
Loop time of 50.0133 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.728 ns/day, 13.893 hours/ns, 19.995 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    | 49.931     | 49.931     | 49.931     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015081   | 0.015081   | 0.015081   |   0.0 |  0.03
Output  | 3.6859e-05 | 3.6859e-05 | 3.6859e-05 |   0.0 |  0.00
Modify  | 0.061656   | 0.061656   | 0.061656   |   0.0 |  0.12
Other   |            | 0.00551    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223936 ave      223936 max      223936 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223936
Ave neighs/atom = 111.968
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.477834731701, Press = -1.19129598849117
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     53000  -10468.709     -10468.709     -10534.782     -10534.782      255.7104       255.7104       27137.921      27137.921      860.74721      860.74721    
     54000  -10469.767     -10469.767     -10534.842     -10534.842      251.84743      251.84743      27127.126      27127.126      1395.3535      1395.3535    
Loop time of 49.9732 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.729 ns/day, 13.881 hours/ns, 20.011 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    | 49.891     | 49.891     | 49.891     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014962   | 0.014962   | 0.014962   |   0.0 |  0.03
Output  | 3.3663e-05 | 3.3663e-05 | 3.3663e-05 |   0.0 |  0.00
Modify  | 0.06159    | 0.06159    | 0.06159    |   0.0 |  0.12
Other   |            | 0.005416   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223928 ave      223928 max      223928 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223928
Ave neighs/atom = 111.964
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.455434202935, Press = -2.09063646149546
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     54000  -10469.767     -10469.767     -10534.842     -10534.842      251.84743      251.84743      27127.126      27127.126      1395.3535      1395.3535    
     55000  -10470.297     -10470.297     -10535.115     -10535.115      250.85285      250.85285      27167.207      27167.207     -908.40735     -908.40735    
Loop time of 49.8834 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.732 ns/day, 13.856 hours/ns, 20.047 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    | 49.801     | 49.801     | 49.801     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014908   | 0.014908   | 0.014908   |   0.0 |  0.03
Output  | 3.6559e-05 | 3.6559e-05 | 3.6559e-05 |   0.0 |  0.00
Modify  | 0.061617   | 0.061617   | 0.061617   |   0.0 |  0.12
Other   |            | 0.00543    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223936 ave      223936 max      223936 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223936
Ave neighs/atom = 111.968
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.447528607122, Press = -2.67184146198386
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     55000  -10470.297     -10470.297     -10535.115     -10535.115      250.85285      250.85285      27167.207      27167.207     -908.40735     -908.40735    
     56000  -10471.07      -10471.07      -10536.391     -10536.391      252.80025      252.80025      27196.75       27196.75      -2743.9207     -2743.9207    
Loop time of 49.9785 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.729 ns/day, 13.883 hours/ns, 20.009 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    | 49.896     | 49.896     | 49.896     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015015   | 0.015015   | 0.015015   |   0.0 |  0.03
Output  | 3.6779e-05 | 3.6779e-05 | 3.6779e-05 |   0.0 |  0.00
Modify  | 0.061585   | 0.061585   | 0.061585   |   0.0 |  0.12
Other   |            | 0.005421   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223934 ave      223934 max      223934 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223934
Ave neighs/atom = 111.967
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.439090008193, Press = -1.48775028155852
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     56000  -10471.07      -10471.07      -10536.391     -10536.391      252.80025      252.80025      27196.75       27196.75      -2743.9207     -2743.9207    
     57000  -10469.299     -10469.299     -10534.165     -10534.165      251.03731      251.03731      27139.647      27139.647      765.15968      765.15968    
Loop time of 49.94 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.730 ns/day, 13.872 hours/ns, 20.024 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    | 49.858     | 49.858     | 49.858     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014918   | 0.014918   | 0.014918   |   0.0 |  0.03
Output  | 2.1821e-05 | 2.1821e-05 | 2.1821e-05 |   0.0 |  0.00
Modify  | 0.061524   | 0.061524   | 0.061524   |   0.0 |  0.12
Other   |            | 0.005428   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223946 ave      223946 max      223946 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223946
Ave neighs/atom = 111.973
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.461948931061, Press = 0.0906084288212164
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     57000  -10469.299     -10469.299     -10534.165     -10534.165      251.03731      251.03731      27139.647      27139.647      765.15968      765.15968    
     58000  -10469.676     -10469.676     -10535.794     -10535.794      255.8827       255.8827       27124.289      27124.289      1538.6054      1538.6054    
Loop time of 49.9446 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.730 ns/day, 13.874 hours/ns, 20.022 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    | 49.863     | 49.863     | 49.863     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014985   | 0.014985   | 0.014985   |   0.0 |  0.03
Output  | 3.5166e-05 | 3.5166e-05 | 3.5166e-05 |   0.0 |  0.00
Modify  | 0.061604   | 0.061604   | 0.061604   |   0.0 |  0.12
Other   |            | 0.005436   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223940 ave      223940 max      223940 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223940
Ave neighs/atom = 111.97
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.43996773213, Press = -1.58660071076266
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     58000  -10469.676     -10469.676     -10535.794     -10535.794      255.8827       255.8827       27124.289      27124.289      1538.6054      1538.6054    
     59000  -10469.417     -10469.417     -10534.659     -10534.659      252.49437      252.49437      27148.86       27148.86       201.22076      201.22076    
Loop time of 49.9483 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.730 ns/day, 13.875 hours/ns, 20.021 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    | 49.866     | 49.866     | 49.866     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014921   | 0.014921   | 0.014921   |   0.0 |  0.03
Output  | 4.0195e-05 | 4.0195e-05 | 4.0195e-05 |   0.0 |  0.00
Modify  | 0.061555   | 0.061555   | 0.061555   |   0.0 |  0.12
Other   |            | 0.00544    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223942 ave      223942 max      223942 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223942
Ave neighs/atom = 111.971
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.407000685035, Press = -2.00490515856955
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     59000  -10469.417     -10469.417     -10534.659     -10534.659      252.49437      252.49437      27148.86       27148.86       201.22076      201.22076    
     60000  -10471.158     -10471.158     -10535.509     -10535.509      249.04329      249.04329      27168.995      27168.995     -1098.622      -1098.622     
Loop time of 50.0019 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.728 ns/day, 13.889 hours/ns, 19.999 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    | 49.92      | 49.92      | 49.92      |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01508    | 0.01508    | 0.01508    |   0.0 |  0.03
Output  | 3.5767e-05 | 3.5767e-05 | 3.5767e-05 |   0.0 |  0.00
Modify  | 0.06155    | 0.06155    | 0.06155    |   0.0 |  0.12
Other   |            | 0.005401   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223948 ave      223948 max      223948 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223948
Ave neighs/atom = 111.974
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.348021732187, Press = -1.8272235707569
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     60000  -10471.158     -10471.158     -10535.509     -10535.509      249.04329      249.04329      27168.995      27168.995     -1098.622      -1098.622     
     61000  -10470.47      -10470.47      -10534.113     -10534.113      246.30608      246.30608      27166.081      27166.081     -821.55702     -821.55702    
Loop time of 50.0194 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.727 ns/day, 13.894 hours/ns, 19.992 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    | 49.937     | 49.937     | 49.937     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01493    | 0.01493    | 0.01493    |   0.0 |  0.03
Output  | 3.5707e-05 | 3.5707e-05 | 3.5707e-05 |   0.0 |  0.00
Modify  | 0.061555   | 0.061555   | 0.061555   |   0.0 |  0.12
Other   |            | 0.005419   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223940 ave      223940 max      223940 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223940
Ave neighs/atom = 111.97
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.344906120856, Press = -0.771662144367118
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     61000  -10470.47      -10470.47      -10534.113     -10534.113      246.30608      246.30608      27166.081      27166.081     -821.55702     -821.55702    
     62000  -10465.768     -10465.768     -10533.823     -10533.823      263.37823      263.37823      27103.293      27103.293      3128.2897      3128.2897    
Loop time of 49.9342 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.730 ns/day, 13.871 hours/ns, 20.026 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    | 49.852     | 49.852     | 49.852     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015076   | 0.015076   | 0.015076   |   0.0 |  0.03
Output  | 3.5076e-05 | 3.5076e-05 | 3.5076e-05 |   0.0 |  0.00
Modify  | 0.06158    | 0.06158    | 0.06158    |   0.0 |  0.12
Other   |            | 0.005415   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223934 ave      223934 max      223934 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223934
Ave neighs/atom = 111.967
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.368436968879, Press = -0.673015390646063
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     62000  -10465.768     -10465.768     -10533.823     -10533.823      263.37823      263.37823      27103.293      27103.293      3128.2897      3128.2897    
     63000  -10471.428     -10471.428     -10536.991     -10536.991      253.73669      253.73669      27123.135      27123.135      1432.9724      1432.9724    
Loop time of 49.8521 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.733 ns/day, 13.848 hours/ns, 20.059 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    | 49.77      | 49.77      | 49.77      |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014994   | 0.014994   | 0.014994   |   0.0 |  0.03
Output  | 2.4947e-05 | 2.4947e-05 | 2.4947e-05 |   0.0 |  0.00
Modify  | 0.061507   | 0.061507   | 0.061507   |   0.0 |  0.12
Other   |            | 0.005387   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223952 ave      223952 max      223952 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223952
Ave neighs/atom = 111.976
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.371762507211, Press = -2.14062255560016
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     63000  -10471.428     -10471.428     -10536.991     -10536.991      253.73669      253.73669      27123.135      27123.135      1432.9724      1432.9724    
     64000  -10468.797     -10468.797     -10533.389     -10533.389      249.97618      249.97618      27172.581      27172.581     -1075.1265     -1075.1265    
Loop time of 49.9313 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.730 ns/day, 13.870 hours/ns, 20.028 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    | 49.849     | 49.849     | 49.849     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014941   | 0.014941   | 0.014941   |   0.0 |  0.03
Output  | 3.5046e-05 | 3.5046e-05 | 3.5046e-05 |   0.0 |  0.00
Modify  | 0.061638   | 0.061638   | 0.061638   |   0.0 |  0.12
Other   |            | 0.005433   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223938 ave      223938 max      223938 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223938
Ave neighs/atom = 111.969
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.33174085659, Press = -2.04090737004476
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     64000  -10468.797     -10468.797     -10533.389     -10533.389      249.97618      249.97618      27172.581      27172.581     -1075.1265     -1075.1265    
     65000  -10471.484     -10471.484     -10534.828     -10534.828      245.14573      245.14573      27179.768      27179.768     -1692.5623     -1692.5623    
Loop time of 49.8949 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.732 ns/day, 13.860 hours/ns, 20.042 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    | 49.813     | 49.813     | 49.813     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014959   | 0.014959   | 0.014959   |   0.0 |  0.03
Output  | 3.744e-05  | 3.744e-05  | 3.744e-05  |   0.0 |  0.00
Modify  | 0.06163    | 0.06163    | 0.06163    |   0.0 |  0.12
Other   |            | 0.005436   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223928 ave      223928 max      223928 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223928
Ave neighs/atom = 111.964
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.31537348458, Press = -1.15870227283494
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     65000  -10471.484     -10471.484     -10534.828     -10534.828      245.14573      245.14573      27179.768      27179.768     -1692.5623     -1692.5623    
     66000  -10464.665     -10464.665     -10532.501     -10532.501      262.53294      262.53294      27145.045      27145.045      763.48823      763.48823    
Loop time of 50.0778 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.725 ns/day, 13.911 hours/ns, 19.969 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    | 49.996     | 49.996     | 49.996     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014969   | 0.014969   | 0.014969   |   0.0 |  0.03
Output  | 3.5828e-05 | 3.5828e-05 | 3.5828e-05 |   0.0 |  0.00
Modify  | 0.061609   | 0.061609   | 0.061609   |   0.0 |  0.12
Other   |            | 0.005463   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223916 ave      223916 max      223916 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223916
Ave neighs/atom = 111.958
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.331329889462, Press = -0.649561760604364
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     66000  -10464.665     -10464.665     -10532.501     -10532.501      262.53294      262.53294      27145.045      27145.045      763.48823      763.48823    
     67000  -10470.481     -10470.481     -10535.54      -10535.54       251.785        251.785        27120.683      27120.683      1747.5536      1747.5536    
Loop time of 50.0126 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.728 ns/day, 13.892 hours/ns, 19.995 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    | 49.931     | 49.931     | 49.931     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014962   | 0.014962   | 0.014962   |   0.0 |  0.03
Output  | 3.4856e-05 | 3.4856e-05 | 3.4856e-05 |   0.0 |  0.00
Modify  | 0.061594   | 0.061594   | 0.061594   |   0.0 |  0.12
Other   |            | 0.005421   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223916 ave      223916 max      223916 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223916
Ave neighs/atom = 111.958
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.346081040645, Press = -1.47608892077004
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     67000  -10470.481     -10470.481     -10535.54      -10535.54       251.785        251.785        27120.683      27120.683      1747.5536      1747.5536    
     68000  -10468.689     -10468.689     -10534.894     -10534.894      256.21805      256.21805      27153.346      27153.346     -5.0248805     -5.0248805    
Loop time of 49.9665 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.729 ns/day, 13.880 hours/ns, 20.013 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    | 49.884     | 49.884     | 49.884     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015021   | 0.015021   | 0.015021   |   0.0 |  0.03
Output  | 3.5768e-05 | 3.5768e-05 | 3.5768e-05 |   0.0 |  0.00
Modify  | 0.061622   | 0.061622   | 0.061622   |   0.0 |  0.12
Other   |            | 0.005455   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223960 ave      223960 max      223960 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223960
Ave neighs/atom = 111.98
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.348688808365, Press = -2.05421822055799
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     68000  -10468.689     -10468.689     -10534.894     -10534.894      256.21805      256.21805      27153.346      27153.346     -5.0248805     -5.0248805    
     69000  -10471.043     -10471.043     -10535.59      -10535.59       249.80553      249.80553      27184.938      27184.938     -2087.6838     -2087.6838    
Loop time of 50.0626 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.726 ns/day, 13.906 hours/ns, 19.975 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    | 49.981     | 49.981     | 49.981     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014963   | 0.014963   | 0.014963   |   0.0 |  0.03
Output  | 2.2161e-05 | 2.2161e-05 | 2.2161e-05 |   0.0 |  0.00
Modify  | 0.061596   | 0.061596   | 0.061596   |   0.0 |  0.12
Other   |            | 0.005407   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223944 ave      223944 max      223944 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223944
Ave neighs/atom = 111.972
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.348215457775, Press = -1.54867992849738
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     69000  -10471.043     -10471.043     -10535.59      -10535.59       249.80553      249.80553      27184.938      27184.938     -2087.6838     -2087.6838    
     70000  -10467.999     -10467.999     -10533.287     -10533.287      252.669        252.669        27168.705      27168.705     -781.04906     -781.04906    
Loop time of 50.0855 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.725 ns/day, 13.913 hours/ns, 19.966 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    | 50.003     | 50.003     | 50.003     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01509    | 0.01509    | 0.01509    |   0.0 |  0.03
Output  | 3.5657e-05 | 3.5657e-05 | 3.5657e-05 |   0.0 |  0.00
Modify  | 0.061593   | 0.061593   | 0.061593   |   0.0 |  0.12
Other   |            | 0.005438   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223926 ave      223926 max      223926 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223926
Ave neighs/atom = 111.963
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.337454978611, Press = -0.584935921081091
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     70000  -10467.999     -10467.999     -10533.287     -10533.287      252.669        252.669        27168.705      27168.705     -781.04906     -781.04906    
     71000  -10470.746     -10470.746     -10535.325     -10535.325      249.92853      249.92853      27113.452      27113.452      2131.5905      2131.5905    
Loop time of 49.9714 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.729 ns/day, 13.881 hours/ns, 20.011 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    | 49.889     | 49.889     | 49.889     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014962   | 0.014962   | 0.014962   |   0.0 |  0.03
Output  | 3.5286e-05 | 3.5286e-05 | 3.5286e-05 |   0.0 |  0.00
Modify  | 0.061652   | 0.061652   | 0.061652   |   0.0 |  0.12
Other   |            | 0.005421   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223922 ave      223922 max      223922 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223922
Ave neighs/atom = 111.961
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.372139291808, Press = -0.632514026831283
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     71000  -10470.746     -10470.746     -10535.325     -10535.325      249.92853      249.92853      27113.452      27113.452      2131.5905      2131.5905    
     72000  -10469.641     -10469.641     -10534.529     -10534.529      251.12212      251.12212      27121.895      27121.895      1694.9813      1694.9813    
Loop time of 50.0071 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.728 ns/day, 13.891 hours/ns, 19.997 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    | 49.925     | 49.925     | 49.925     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01511    | 0.01511    | 0.01511    |   0.0 |  0.03
Output  | 3.5577e-05 | 3.5577e-05 | 3.5577e-05 |   0.0 |  0.00
Modify  | 0.061607   | 0.061607   | 0.061607   |   0.0 |  0.12
Other   |            | 0.005427   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223926 ave      223926 max      223926 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223926
Ave neighs/atom = 111.963
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.361895711314, Press = -1.71541840952621
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     72000  -10469.641     -10469.641     -10534.529     -10534.529      251.12212      251.12212      27121.895      27121.895      1694.9813      1694.9813    
     73000  -10471.301     -10471.301     -10537.181     -10537.181      254.95878      254.95878      27161.097      27161.097     -813.96407     -813.96407    
Loop time of 50.0741 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.725 ns/day, 13.909 hours/ns, 19.970 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    | 49.992     | 49.992     | 49.992     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014984   | 0.014984   | 0.014984   |   0.0 |  0.03
Output  | 3.723e-05  | 3.723e-05  | 3.723e-05  |   0.0 |  0.00
Modify  | 0.061572   | 0.061572   | 0.061572   |   0.0 |  0.12
Other   |            | 0.005426   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223926 ave      223926 max      223926 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223926
Ave neighs/atom = 111.963
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.328597467239, Press = -1.60569161926611
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     73000  -10471.301     -10471.301     -10537.181     -10537.181      254.95878      254.95878      27161.097      27161.097     -813.96407     -813.96407    
     74000  -10470.536     -10470.536     -10535.216     -10535.216      250.31803      250.31803      27164.15       27164.15      -839.85889     -839.85889    
Loop time of 49.9248 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.731 ns/day, 13.868 hours/ns, 20.030 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    | 49.843     | 49.843     | 49.843     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014923   | 0.014923   | 0.014923   |   0.0 |  0.03
Output  | 4.2009e-05 | 4.2009e-05 | 4.2009e-05 |   0.0 |  0.00
Modify  | 0.061594   | 0.061594   | 0.061594   |   0.0 |  0.12
Other   |            | 0.005434   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223938 ave      223938 max      223938 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223938
Ave neighs/atom = 111.969
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.34274796911, Press = -1.10241779429886
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     74000  -10470.536     -10470.536     -10535.216     -10535.216      250.31803      250.31803      27164.15       27164.15      -839.85889     -839.85889    
     75000  -10467.134     -10467.134     -10534.023     -10534.023      258.86822      258.86822      27146.766      27146.766      380.89935      380.89935    
Loop time of 50.0206 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.727 ns/day, 13.895 hours/ns, 19.992 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    | 49.939     | 49.939     | 49.939     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01492    | 0.01492    | 0.01492    |   0.0 |  0.03
Output  | 2.2001e-05 | 2.2001e-05 | 2.2001e-05 |   0.0 |  0.00
Modify  | 0.061472   | 0.061472   | 0.061472   |   0.0 |  0.12
Other   |            | 0.005413   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223926 ave      223926 max      223926 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223926
Ave neighs/atom = 111.963
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.360963872273, Press = -0.990616747999356
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     75000  -10467.134     -10467.134     -10534.023     -10534.023      258.86822      258.86822      27146.766      27146.766      380.89935      380.89935    
     76000  -10470.302     -10470.302     -10536.357     -10536.357      255.64275      255.64275      27139.834      27139.834      483.90071      483.90071    
Loop time of 50.0729 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.725 ns/day, 13.909 hours/ns, 19.971 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    | 49.991     | 49.991     | 49.991     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014971   | 0.014971   | 0.014971   |   0.0 |  0.03
Output  | 3.6488e-05 | 3.6488e-05 | 3.6488e-05 |   0.0 |  0.00
Modify  | 0.061664   | 0.061664   | 0.061664   |   0.0 |  0.12
Other   |            | 0.005467   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223920 ave      223920 max      223920 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223920
Ave neighs/atom = 111.96
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.356903519343, Press = -1.35071207429437
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     76000  -10470.302     -10470.302     -10536.357     -10536.357      255.64275      255.64275      27139.834      27139.834      483.90071      483.90071    
     77000  -10468.753     -10468.753     -10534.436     -10534.436      254.1998       254.1998       27161.605      27161.605     -524.34747     -524.34747    
Loop time of 50.0719 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.726 ns/day, 13.909 hours/ns, 19.971 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    | 49.99      | 49.99      | 49.99      |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015054   | 0.015054   | 0.015054   |   0.0 |  0.03
Output  | 3.6619e-05 | 3.6619e-05 | 3.6619e-05 |   0.0 |  0.00
Modify  | 0.061589   | 0.061589   | 0.061589   |   0.0 |  0.12
Other   |            | 0.005431   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223946 ave      223946 max      223946 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223946
Ave neighs/atom = 111.973
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.354353282255, Press = -1.66261630915627
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     77000  -10468.753     -10468.753     -10534.436     -10534.436      254.1998       254.1998       27161.605      27161.605     -524.34747     -524.34747    
     78000  -10471.227     -10471.227     -10536.226     -10536.226      251.55309      251.55309      27196.535      27196.535     -2716.6686     -2716.6686    
Loop time of 49.9877 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.728 ns/day, 13.885 hours/ns, 20.005 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.906     | 49.906     | 49.906     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014939   | 0.014939   | 0.014939   |   0.0 |  0.03
Output  | 3.5627e-05 | 3.5627e-05 | 3.5627e-05 |   0.0 |  0.00
Modify  | 0.06151    | 0.06151    | 0.06151    |   0.0 |  0.12
Other   |            | 0.005406   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223930 ave      223930 max      223930 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223930
Ave neighs/atom = 111.965
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.323144846819, Press = -1.11418849386989
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     78000  -10471.227     -10471.227     -10536.226     -10536.226      251.55309      251.55309      27196.535      27196.535     -2716.6686     -2716.6686    
     79000  -10470.661     -10470.661     -10534.395     -10534.395      246.65698      246.65698      27143.571      27143.571      486.20982      486.20982    
Loop time of 49.9788 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.729 ns/day, 13.883 hours/ns, 20.008 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.897     | 49.897     | 49.897     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01499    | 0.01499    | 0.01499    |   0.0 |  0.03
Output  | 3.5507e-05 | 3.5507e-05 | 3.5507e-05 |   0.0 |  0.00
Modify  | 0.061525   | 0.061525   | 0.061525   |   0.0 |  0.12
Other   |            | 0.00542    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223938 ave      223938 max      223938 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223938
Ave neighs/atom = 111.969
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.333352209733, Press = -0.313584712244733
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     79000  -10470.661     -10470.661     -10534.395     -10534.395      246.65698      246.65698      27143.571      27143.571      486.20982      486.20982    
     80000  -10467.577     -10467.577     -10533.822     -10533.822      256.37471      256.37471      27122.344      27122.344      1871.2951      1871.2951    
Loop time of 50.0298 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.727 ns/day, 13.897 hours/ns, 19.988 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    | 49.948     | 49.948     | 49.948     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014954   | 0.014954   | 0.014954   |   0.0 |  0.03
Output  | 3.6519e-05 | 3.6519e-05 | 3.6519e-05 |   0.0 |  0.00
Modify  | 0.061524   | 0.061524   | 0.061524   |   0.0 |  0.12
Other   |            | 0.005459   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223920 ave      223920 max      223920 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223920
Ave neighs/atom = 111.96
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.354463516393, Press = -1.09181385534793
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     80000  -10467.577     -10467.577     -10533.822     -10533.822      256.37471      256.37471      27122.344      27122.344      1871.2951      1871.2951    
     81000  -10468.901     -10468.901     -10535.779     -10535.779      258.82635      258.82635      27149.182      27149.182      174.07277      174.07277    
Loop time of 49.9774 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.729 ns/day, 13.883 hours/ns, 20.009 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    | 49.895     | 49.895     | 49.895     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014978   | 0.014978   | 0.014978   |   0.0 |  0.03
Output  | 2.2021e-05 | 2.2021e-05 | 2.2021e-05 |   0.0 |  0.00
Modify  | 0.061575   | 0.061575   | 0.061575   |   0.0 |  0.12
Other   |            | 0.005403   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223926 ave      223926 max      223926 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223926
Ave neighs/atom = 111.963
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.35073355549, Press = -1.36926962981201
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     81000  -10468.901     -10468.901     -10535.779     -10535.779      258.82635      258.82635      27149.182      27149.182      174.07277      174.07277    
     82000  -10469.264     -10469.264     -10535.482     -10535.482      256.26995      256.26995      27160.898      27160.898     -454.30051     -454.30051    
Loop time of 49.9842 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.729 ns/day, 13.885 hours/ns, 20.006 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.902     | 49.902     | 49.902     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015068   | 0.015068   | 0.015068   |   0.0 |  0.03
Output  | 3.5286e-05 | 3.5286e-05 | 3.5286e-05 |   0.0 |  0.00
Modify  | 0.061593   | 0.061593   | 0.061593   |   0.0 |  0.12
Other   |            | 0.005411   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223958 ave      223958 max      223958 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223958
Ave neighs/atom = 111.979
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.381776091625, Press = -1.24319359459437
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     82000  -10469.264     -10469.264     -10535.482     -10535.482      256.26995      256.26995      27160.898      27160.898     -454.30051     -454.30051    
     83000  -10469.266     -10469.266     -10534.821     -10534.821      253.70486      253.70486      27157.741      27157.741     -339.8793      -339.8793     
Loop time of 49.9829 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.729 ns/day, 13.884 hours/ns, 20.007 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.901     | 49.901     | 49.901     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014984   | 0.014984   | 0.014984   |   0.0 |  0.03
Output  | 3.6539e-05 | 3.6539e-05 | 3.6539e-05 |   0.0 |  0.00
Modify  | 0.061631   | 0.061631   | 0.061631   |   0.0 |  0.12
Other   |            | 0.005437   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223934 ave      223934 max      223934 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223934
Ave neighs/atom = 111.967
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.371274833534, Press = -0.991044929260112
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     83000  -10469.266     -10469.266     -10534.821     -10534.821      253.70486      253.70486      27157.741      27157.741     -339.8793      -339.8793     
     84000  -10467.433     -10467.433     -10534.306     -10534.306      258.80395      258.80395      27144.089      27144.089      540.78298      540.78298    
Loop time of 50.0773 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.725 ns/day, 13.910 hours/ns, 19.969 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.995     | 49.995     | 49.995     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014946   | 0.014946   | 0.014946   |   0.0 |  0.03
Output  | 3.6279e-05 | 3.6279e-05 | 3.6279e-05 |   0.0 |  0.00
Modify  | 0.061613   | 0.061613   | 0.061613   |   0.0 |  0.12
Other   |            | 0.005441   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223934 ave      223934 max      223934 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223934
Ave neighs/atom = 111.967
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.365738165663, Press = -0.910121582903236
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     84000  -10467.433     -10467.433     -10534.306     -10534.306      258.80395      258.80395      27144.089      27144.089      540.78298      540.78298    
     85000  -10469.099     -10469.099     -10535.824     -10535.824      258.2336       258.2336       27134.333      27134.333      1029.4794      1029.4794    
Loop time of 49.9227 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.731 ns/day, 13.867 hours/ns, 20.031 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    | 49.841     | 49.841     | 49.841     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014976   | 0.014976   | 0.014976   |   0.0 |  0.03
Output  | 3.3974e-05 | 3.3974e-05 | 3.3974e-05 |   0.0 |  0.00
Modify  | 0.061669   | 0.061669   | 0.061669   |   0.0 |  0.12
Other   |            | 0.005435   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223934 ave      223934 max      223934 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223934
Ave neighs/atom = 111.967
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.375311695639, Press = -1.38259877937202
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     85000  -10469.099     -10469.099     -10535.824     -10535.824      258.2336       258.2336       27134.333      27134.333      1029.4794      1029.4794    
     86000  -10467.314     -10467.314     -10534.572     -10534.572      260.2953       260.2953       27177.596      27177.596     -1268.6081     -1268.6081    
Loop time of 49.9731 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.729 ns/day, 13.881 hours/ns, 20.011 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    | 49.891     | 49.891     | 49.891     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015136   | 0.015136   | 0.015136   |   0.0 |  0.03
Output  | 3.5437e-05 | 3.5437e-05 | 3.5437e-05 |   0.0 |  0.00
Modify  | 0.06162    | 0.06162    | 0.06162    |   0.0 |  0.12
Other   |            | 0.005489   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223956 ave      223956 max      223956 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223956
Ave neighs/atom = 111.978
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.378181764156, Press = -1.70048753122288
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     86000  -10467.314     -10467.314     -10534.572     -10534.572      260.2953       260.2953       27177.596      27177.596     -1268.6081     -1268.6081    
     87000  -10469.044     -10469.044     -10534.884     -10534.884      254.80475      254.80475      27196.112      27196.112     -2503.8467     -2503.8467    
Loop time of 49.9041 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.731 ns/day, 13.862 hours/ns, 20.038 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    | 49.822     | 49.822     | 49.822     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014972   | 0.014972   | 0.014972   |   0.0 |  0.03
Output  | 2.2051e-05 | 2.2051e-05 | 2.2051e-05 |   0.0 |  0.00
Modify  | 0.061534   | 0.061534   | 0.061534   |   0.0 |  0.12
Other   |            | 0.00541    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223936 ave      223936 max      223936 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223936
Ave neighs/atom = 111.968
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.417107213927, Press = -0.913841720069854
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     87000  -10469.044     -10469.044     -10534.884     -10534.884      254.80475      254.80475      27196.112      27196.112     -2503.8467     -2503.8467    
     88000  -10467.993     -10467.993     -10534.139     -10534.139      255.99381      255.99381      27144.289      27144.289      480.82849      480.82849    
Loop time of 49.9356 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.730 ns/day, 13.871 hours/ns, 20.026 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.854     | 49.854     | 49.854     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014927   | 0.014927   | 0.014927   |   0.0 |  0.03
Output  | 3.5377e-05 | 3.5377e-05 | 3.5377e-05 |   0.0 |  0.00
Modify  | 0.061517   | 0.061517   | 0.061517   |   0.0 |  0.12
Other   |            | 0.005427   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223936 ave      223936 max      223936 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223936
Ave neighs/atom = 111.968
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.418759622678, Press = -0.528865420156621
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     88000  -10467.993     -10467.993     -10534.139     -10534.139      255.99381      255.99381      27144.289      27144.289      480.82849      480.82849    
     89000  -10469.446     -10469.446     -10533.734     -10533.734      248.80355      248.80355      27138.708      27138.708      814.58963      814.58963    
Loop time of 49.9862 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.728 ns/day, 13.885 hours/ns, 20.006 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    | 49.904     | 49.904     | 49.904     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014968   | 0.014968   | 0.014968   |   0.0 |  0.03
Output  | 3.5417e-05 | 3.5417e-05 | 3.5417e-05 |   0.0 |  0.00
Modify  | 0.061523   | 0.061523   | 0.061523   |   0.0 |  0.12
Other   |            | 0.005419   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223940 ave      223940 max      223940 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223940
Ave neighs/atom = 111.97
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.449865818112, Press = -1.07421272054791
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     89000  -10469.446     -10469.446     -10533.734     -10533.734      248.80355      248.80355      27138.708      27138.708      814.58963      814.58963    
     90000  -10466.461     -10466.461     -10534.105     -10534.105      261.78889      261.78889      27155.373      27155.373     -74.509872     -74.509872    
Loop time of 50.063 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.726 ns/day, 13.906 hours/ns, 19.975 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    | 49.981     | 49.981     | 49.981     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015093   | 0.015093   | 0.015093   |   0.0 |  0.03
Output  | 6.0293e-05 | 6.0293e-05 | 6.0293e-05 |   0.0 |  0.00
Modify  | 0.061557   | 0.061557   | 0.061557   |   0.0 |  0.12
Other   |            | 0.005419   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223950 ave      223950 max      223950 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223950
Ave neighs/atom = 111.975
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.453920959267, Press = -1.19117735661019
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     90000  -10466.461     -10466.461     -10534.105     -10534.105      261.78889      261.78889      27155.373      27155.373     -74.509872     -74.509872    
     91000  -10471.423     -10471.423     -10535.513     -10535.513      248.03634      248.03634      27156.373      27156.373     -402.17068     -402.17068    
Loop time of 49.8789 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.732 ns/day, 13.855 hours/ns, 20.049 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    | 49.797     | 49.797     | 49.797     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015016   | 0.015016   | 0.015016   |   0.0 |  0.03
Output  | 3.6308e-05 | 3.6308e-05 | 3.6308e-05 |   0.0 |  0.00
Modify  | 0.061518   | 0.061518   | 0.061518   |   0.0 |  0.12
Other   |            | 0.005411   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223902 ave      223902 max      223902 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223902
Ave neighs/atom = 111.951
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.467947278785, Press = -1.11657783198938
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     91000  -10471.423     -10471.423     -10535.513     -10535.513      248.03634      248.03634      27156.373      27156.373     -402.17068     -402.17068    
     92000  -10467.883     -10467.883     -10533.817     -10533.817      255.17285      255.17285      27157.76       27157.76      -303.47401     -303.47401    
Loop time of 49.89 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.732 ns/day, 13.858 hours/ns, 20.044 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    | 49.808     | 49.808     | 49.808     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014954   | 0.014954   | 0.014954   |   0.0 |  0.03
Output  | 3.4575e-05 | 3.4575e-05 | 3.4575e-05 |   0.0 |  0.00
Modify  | 0.061575   | 0.061575   | 0.061575   |   0.0 |  0.12
Other   |            | 0.005415   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223936 ave      223936 max      223936 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223936
Ave neighs/atom = 111.968
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.456347642118, Press = -0.852474383412482
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     92000  -10467.883     -10467.883     -10533.817     -10533.817      255.17285      255.17285      27157.76       27157.76      -303.47401     -303.47401    
     93000  -10471.978     -10471.978     -10536.815     -10536.815      250.92433      250.92433      27125.347      27125.347      1252.5233      1252.5233    
Loop time of 50.018 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.727 ns/day, 13.894 hours/ns, 19.993 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    | 49.936     | 49.936     | 49.936     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014942   | 0.014942   | 0.014942   |   0.0 |  0.03
Output  | 2.1901e-05 | 2.1901e-05 | 2.1901e-05 |   0.0 |  0.00
Modify  | 0.061648   | 0.061648   | 0.061648   |   0.0 |  0.12
Other   |            | 0.005446   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223932 ave      223932 max      223932 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223932
Ave neighs/atom = 111.966
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.43849981789, Press = -0.891902160427387
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     93000  -10471.978     -10471.978     -10536.815     -10536.815      250.92433      250.92433      27125.347      27125.347      1252.5233      1252.5233    
     94000  -10467.27      -10467.27      -10534.552     -10534.552      260.38678      260.38678      27139.003      27139.003      831.65622      831.65622    
Loop time of 50.0614 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.726 ns/day, 13.906 hours/ns, 19.975 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    | 49.979     | 49.979     | 49.979     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014993   | 0.014993   | 0.014993   |   0.0 |  0.03
Output  | 3.5176e-05 | 3.5176e-05 | 3.5176e-05 |   0.0 |  0.00
Modify  | 0.061585   | 0.061585   | 0.061585   |   0.0 |  0.12
Other   |            | 0.005442   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223944 ave      223944 max      223944 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223944
Ave neighs/atom = 111.972
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.431779021917, Press = -1.49973980192449
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     94000  -10467.27      -10467.27      -10534.552     -10534.552      260.38678      260.38678      27139.003      27139.003      831.65622      831.65622    
     95000  -10472.175     -10472.175     -10536.583     -10536.583      249.26343      249.26343      27187.41       27187.41      -2334.6609     -2334.6609    
Loop time of 49.9939 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.728 ns/day, 13.887 hours/ns, 20.002 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.912     | 49.912     | 49.912     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014954   | 0.014954   | 0.014954   |   0.0 |  0.03
Output  | 3.4875e-05 | 3.4875e-05 | 3.4875e-05 |   0.0 |  0.00
Modify  | 0.061666   | 0.061666   | 0.061666   |   0.0 |  0.12
Other   |            | 0.005436   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223934 ave      223934 max      223934 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223934
Ave neighs/atom = 111.967
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.421350802813, Press = -1.44705566493624
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     95000  -10472.175     -10472.175     -10536.583     -10536.583      249.26343      249.26343      27187.41       27187.41      -2334.6609     -2334.6609    
     96000  -10469.776     -10469.776     -10534.146     -10534.146      249.11746      249.11746      27181.636      27181.636     -1711.9628     -1711.9628    
Loop time of 50.0049 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.728 ns/day, 13.890 hours/ns, 19.998 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.922     | 49.922     | 49.922     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015039   | 0.015039   | 0.015039   |   0.0 |  0.03
Output  | 5.7788e-05 | 5.7788e-05 | 5.7788e-05 |   0.0 |  0.00
Modify  | 0.061841   | 0.061841   | 0.061841   |   0.0 |  0.12
Other   |            | 0.005466   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223924 ave      223924 max      223924 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223924
Ave neighs/atom = 111.962
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.384223153575, Press = -0.429736518058037
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     96000  -10469.776     -10469.776     -10534.146     -10534.146      249.11746      249.11746      27181.636      27181.636     -1711.9628     -1711.9628    
     97000  -10468.091     -10468.091     -10535.406     -10535.406      260.51726      260.51726      27129.11       27129.11       1234.6359      1234.6359    
Loop time of 49.9421 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.730 ns/day, 13.873 hours/ns, 20.023 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.86      | 49.86      | 49.86      |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014977   | 0.014977   | 0.014977   |   0.0 |  0.03
Output  | 5.8891e-05 | 5.8891e-05 | 5.8891e-05 |   0.0 |  0.00
Modify  | 0.06187    | 0.06187    | 0.06187    |   0.0 |  0.12
Other   |            | 0.005458   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223910 ave      223910 max      223910 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223910
Ave neighs/atom = 111.955
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.379022841088, Press = -0.583388898874365
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     97000  -10468.091     -10468.091     -10535.406     -10535.406      260.51726      260.51726      27129.11       27129.11       1234.6359      1234.6359    
     98000  -10469.862     -10469.862     -10535.297     -10535.297      253.23972      253.23972      27132.216      27132.216      1023.9518      1023.9518    
Loop time of 50.0045 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.728 ns/day, 13.890 hours/ns, 19.998 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.922     | 49.922     | 49.922     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015022   | 0.015022   | 0.015022   |   0.0 |  0.03
Output  | 4.7249e-05 | 4.7249e-05 | 4.7249e-05 |   0.0 |  0.00
Modify  | 0.061812   | 0.061812   | 0.061812   |   0.0 |  0.12
Other   |            | 0.005515   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223928 ave      223928 max      223928 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223928
Ave neighs/atom = 111.964
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.372223154158, Press = -1.11779237580988
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     98000  -10469.862     -10469.862     -10535.297     -10535.297      253.23972      253.23972      27132.216      27132.216      1023.9518      1023.9518    
     99000  -10466.213     -10466.213     -10532.511     -10532.511      256.58099      256.58099      27163.262      27163.262     -433.24948     -433.24948    
Loop time of 49.9248 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.731 ns/day, 13.868 hours/ns, 20.030 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.842     | 49.842     | 49.842     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014973   | 0.014973   | 0.014973   |   0.0 |  0.03
Output  | 3.0066e-05 | 3.0066e-05 | 3.0066e-05 |   0.0 |  0.00
Modify  | 0.0619     | 0.0619     | 0.0619     |   0.0 |  0.12
Other   |            | 0.005421   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223940 ave      223940 max      223940 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223940
Ave neighs/atom = 111.97
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.388923218304, Press = -1.28968294001849
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     99000  -10466.213     -10466.213     -10532.511     -10532.511      256.58099      256.58099      27163.262      27163.262     -433.24948     -433.24948    
    100000  -10470.025     -10470.025     -10535.958     -10535.958      255.16453      255.16453      27174.153      27174.153     -1301.7253     -1301.7253    
Loop time of 49.9667 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.729 ns/day, 13.880 hours/ns, 20.013 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.884     | 49.884     | 49.884     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014956   | 0.014956   | 0.014956   |   0.0 |  0.03
Output  | 5.8029e-05 | 5.8029e-05 | 5.8029e-05 |   0.0 |  0.00
Modify  | 0.061844   | 0.061844   | 0.061844   |   0.0 |  0.12
Other   |            | 0.005446   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223926 ave      223926 max      223926 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223926
Ave neighs/atom = 111.963
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.394187069009, Press = -0.899536244442606
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    100000  -10470.025     -10470.025     -10535.958     -10535.958      255.16453      255.16453      27174.153      27174.153     -1301.7253     -1301.7253    
    101000  -10468.601     -10468.601     -10534.485     -10534.485      254.9799       254.9799       27141.757      27141.757      665.83399      665.83399    
Loop time of 49.9313 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.730 ns/day, 13.870 hours/ns, 20.028 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.849     | 49.849     | 49.849     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014932   | 0.014932   | 0.014932   |   0.0 |  0.03
Output  | 6.2537e-05 | 6.2537e-05 | 6.2537e-05 |   0.0 |  0.00
Modify  | 0.061891   | 0.061891   | 0.061891   |   0.0 |  0.12
Other   |            | 0.005462   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223944 ave      223944 max      223944 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223944
Ave neighs/atom = 111.972
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.411899268358, Press = -0.286471398897544
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    101000  -10468.601     -10468.601     -10534.485     -10534.485      254.9799       254.9799       27141.757      27141.757      665.83399      665.83399    
    102000  -10468.676     -10468.676     -10533.74      -10533.74       251.80252      251.80252      27092.095      27092.095      3485.0459      3485.0459    
Loop time of 49.9504 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.730 ns/day, 13.875 hours/ns, 20.020 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    | 49.868     | 49.868     | 49.868     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014956   | 0.014956   | 0.014956   |   0.0 |  0.03
Output  | 5.858e-05  | 5.858e-05  | 5.858e-05  |   0.0 |  0.00
Modify  | 0.061854   | 0.061854   | 0.061854   |   0.0 |  0.12
Other   |            | 0.005447   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223942 ave      223942 max      223942 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223942
Ave neighs/atom = 111.971
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.398035484007, Press = -0.883410613865108
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    102000  -10468.676     -10468.676     -10533.74      -10533.74       251.80252      251.80252      27092.095      27092.095      3485.0459      3485.0459    
    103000  -10472.633     -10472.633     -10536.129     -10536.129      245.73609      245.73609      27142.829      27142.829      329.10764      329.10764    
Loop time of 49.9923 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.728 ns/day, 13.887 hours/ns, 20.003 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    | 49.91      | 49.91      | 49.91      |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015036   | 0.015036   | 0.015036   |   0.0 |  0.03
Output  | 5.4432e-05 | 5.4432e-05 | 5.4432e-05 |   0.0 |  0.00
Modify  | 0.061808   | 0.061808   | 0.061808   |   0.0 |  0.12
Other   |            | 0.005471   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223934 ave      223934 max      223934 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223934
Ave neighs/atom = 111.967
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.373551226857, Press = -1.38662240732026
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    103000  -10472.633     -10472.633     -10536.129     -10536.129      245.73609      245.73609      27142.829      27142.829      329.10764      329.10764    
    104000  -10470.227     -10470.227     -10534.796     -10534.796      249.88582      249.88582      27179.82       27179.82      -1512.7923     -1512.7923    
Loop time of 49.9713 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.729 ns/day, 13.881 hours/ns, 20.011 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    | 49.889     | 49.889     | 49.889     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014971   | 0.014971   | 0.014971   |   0.0 |  0.03
Output  | 5.0224e-05 | 5.0224e-05 | 5.0224e-05 |   0.0 |  0.00
Modify  | 0.061855   | 0.061855   | 0.061855   |   0.0 |  0.12
Other   |            | 0.005483   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223930 ave      223930 max      223930 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223930
Ave neighs/atom = 111.965
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.366542279249, Press = -1.0699564719582
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    104000  -10470.227     -10470.227     -10534.796     -10534.796      249.88582      249.88582      27179.82       27179.82      -1512.7923     -1512.7923    
    105000  -10467.336     -10467.336     -10534.099     -10534.099      258.37914      258.37914      27160.611      27160.611     -392.66039     -392.66039    
Loop time of 49.9628 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.729 ns/day, 13.879 hours/ns, 20.015 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    | 49.88      | 49.88      | 49.88      |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015007   | 0.015007   | 0.015007   |   0.0 |  0.03
Output  | 2.7252e-05 | 2.7252e-05 | 2.7252e-05 |   0.0 |  0.00
Modify  | 0.061821   | 0.061821   | 0.061821   |   0.0 |  0.12
Other   |            | 0.005447   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223926 ave      223926 max      223926 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223926
Ave neighs/atom = 111.963
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.369082095747, Press = -0.480439885252869
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    105000  -10467.336     -10467.336     -10534.099     -10534.099      258.37914      258.37914      27160.611      27160.611     -392.66039     -392.66039    
    106000  -10470.415     -10470.415     -10535.019     -10535.019      250.02623      250.02623      27117.781      27117.781      1899.1914      1899.1914    
Loop time of 50.0145 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.728 ns/day, 13.893 hours/ns, 19.994 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.932     | 49.932     | 49.932     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015024   | 0.015024   | 0.015024   |   0.0 |  0.03
Output  | 5.868e-05  | 5.868e-05  | 5.868e-05  |   0.0 |  0.00
Modify  | 0.061825   | 0.061825   | 0.061825   |   0.0 |  0.12
Other   |            | 0.005462   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223940 ave      223940 max      223940 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223940
Ave neighs/atom = 111.97
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.383270397499, Press = -0.706920170847341
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    106000  -10470.415     -10470.415     -10535.019     -10535.019      250.02623      250.02623      27117.781      27117.781      1899.1914      1899.1914    
    107000  -10465.07      -10465.07      -10531.985     -10531.985      258.96954      258.96954      27142.072      27142.072      867.66716      867.66716    
Loop time of 50.05 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.726 ns/day, 13.903 hours/ns, 19.980 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.968     | 49.968     | 49.968     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014994   | 0.014994   | 0.014994   |   0.0 |  0.03
Output  | 5.7809e-05 | 5.7809e-05 | 5.7809e-05 |   0.0 |  0.00
Modify  | 0.061837   | 0.061837   | 0.061837   |   0.0 |  0.12
Other   |            | 0.005505   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223940 ave      223940 max      223940 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223940
Ave neighs/atom = 111.97
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.396418365871, Press = -1.36943571681662
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    107000  -10465.07      -10465.07      -10531.985     -10531.985      258.96954      258.96954      27142.072      27142.072      867.66716      867.66716    
    108000  -10469.701     -10469.701     -10535.306     -10535.306      253.89987      253.89987      27210.016      27210.016     -3385.3627     -3385.3627    
Loop time of 49.9557 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.730 ns/day, 13.877 hours/ns, 20.018 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.873     | 49.873     | 49.873     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014987   | 0.014987   | 0.014987   |   0.0 |  0.03
Output  | 5.7999e-05 | 5.7999e-05 | 5.7999e-05 |   0.0 |  0.00
Modify  | 0.061867   | 0.061867   | 0.061867   |   0.0 |  0.12
Other   |            | 0.005457   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223910 ave      223910 max      223910 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223910
Ave neighs/atom = 111.955
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.401448983351, Press = -1.37659326029553
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    108000  -10469.701     -10469.701     -10535.306     -10535.306      253.89987      253.89987      27210.016      27210.016     -3385.3627     -3385.3627    
    109000  -10471.774     -10471.774     -10536.54      -10536.54       250.64894      250.64894      27175.607      27175.607     -1512.3912     -1512.3912    
Loop time of 50.0799 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.725 ns/day, 13.911 hours/ns, 19.968 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.997     | 49.997     | 49.997     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015128   | 0.015128   | 0.015128   |   0.0 |  0.03
Output  | 6.2708e-05 | 6.2708e-05 | 6.2708e-05 |   0.0 |  0.00
Modify  | 0.061797   | 0.061797   | 0.061797   |   0.0 |  0.12
Other   |            | 0.005446   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223912 ave      223912 max      223912 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223912
Ave neighs/atom = 111.956
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.395076553602, Press = -0.500546841466554
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    109000  -10471.774     -10471.774     -10536.54      -10536.54       250.64894      250.64894      27175.607      27175.607     -1512.3912     -1512.3912    
    110000  -10468.629     -10468.629     -10533.947     -10533.947      252.79012      252.79012      27144.243      27144.243      476.88461      476.88461    
Loop time of 50.105 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.724 ns/day, 13.918 hours/ns, 19.958 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    | 50.023     | 50.023     | 50.023     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015079   | 0.015079   | 0.015079   |   0.0 |  0.03
Output  | 4.5486e-05 | 4.5486e-05 | 4.5486e-05 |   0.0 |  0.00
Modify  | 0.061853   | 0.061853   | 0.061853   |   0.0 |  0.12
Other   |            | 0.005472   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223946 ave      223946 max      223946 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223946
Ave neighs/atom = 111.973
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.369844130049, Press = -0.575631828380907
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    110000  -10468.629     -10468.629     -10533.947     -10533.947      252.79012      252.79012      27144.243      27144.243      476.88461      476.88461    
    111000  -10470.459     -10470.459     -10535.362     -10535.362      251.18223      251.18223      27132.418      27132.418      1063.696       1063.696     
Loop time of 50.0743 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.725 ns/day, 13.910 hours/ns, 19.970 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    | 49.992     | 49.992     | 49.992     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015132   | 0.015132   | 0.015132   |   0.0 |  0.03
Output  | 2.7442e-05 | 2.7442e-05 | 2.7442e-05 |   0.0 |  0.00
Modify  | 0.061928   | 0.061928   | 0.061928   |   0.0 |  0.12
Other   |            | 0.005448   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223936 ave      223936 max      223936 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223936
Ave neighs/atom = 111.968
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.35525887612, Press = -0.941591056563081
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    111000  -10470.459     -10470.459     -10535.362     -10535.362      251.18223      251.18223      27132.418      27132.418      1063.696       1063.696     
    112000  -10469.467     -10469.467     -10535.865     -10535.865      256.96442      256.96442      27170.715      27170.715     -1115.0865     -1115.0865    
Loop time of 49.9614 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.729 ns/day, 13.878 hours/ns, 20.015 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    | 49.879     | 49.879     | 49.879     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015007   | 0.015007   | 0.015007   |   0.0 |  0.03
Output  | 5.8019e-05 | 5.8019e-05 | 5.8019e-05 |   0.0 |  0.00
Modify  | 0.06187    | 0.06187    | 0.06187    |   0.0 |  0.12
Other   |            | 0.005464   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223948 ave      223948 max      223948 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223948
Ave neighs/atom = 111.974
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.355505137493, Press = -1.19781654573146
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    112000  -10469.467     -10469.467     -10535.865     -10535.865      256.96442      256.96442      27170.715      27170.715     -1115.0865     -1115.0865    
    113000  -10469.066     -10469.066     -10534.408     -10534.408      252.87872      252.87872      27224.881      27224.881     -4017.7746     -4017.7746    
Loop time of 50.0746 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.725 ns/day, 13.910 hours/ns, 19.970 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    | 49.992     | 49.992     | 49.992     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014975   | 0.014975   | 0.014975   |   0.0 |  0.03
Output  | 5.875e-05  | 5.875e-05  | 5.875e-05  |   0.0 |  0.00
Modify  | 0.06185    | 0.06185    | 0.06185    |   0.0 |  0.12
Other   |            | 0.005472   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223950 ave      223950 max      223950 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223950
Ave neighs/atom = 111.975
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.353399688891, Press = -0.48021922777374
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    113000  -10469.066     -10469.066     -10534.408     -10534.408      252.87872      252.87872      27224.881      27224.881     -4017.7746     -4017.7746    
    114000  -10470.629     -10470.629     -10535.027     -10535.027      249.22542      249.22542      27135.361      27135.361      918.74921      918.74921    
Loop time of 50.037 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.727 ns/day, 13.899 hours/ns, 19.985 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    | 49.955     | 49.955     | 49.955     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015029   | 0.015029   | 0.015029   |   0.0 |  0.03
Output  | 4.792e-05  | 4.792e-05  | 4.792e-05  |   0.0 |  0.00
Modify  | 0.061862   | 0.061862   | 0.061862   |   0.0 |  0.12
Other   |            | 0.005464   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223940 ave      223940 max      223940 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223940
Ave neighs/atom = 111.97
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.353425739867, Press = -0.125207487059177
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    114000  -10470.629     -10470.629     -10535.027     -10535.027      249.22542      249.22542      27135.361      27135.361      918.74921      918.74921    
    115000  -10468.81      -10468.81      -10532.489     -10532.489      246.4431       246.4431       27118.412      27118.412      2132.1399      2132.1399    
Loop time of 50.0107 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.728 ns/day, 13.892 hours/ns, 19.996 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    | 49.928     | 49.928     | 49.928     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014994   | 0.014994   | 0.014994   |   0.0 |  0.03
Output  | 5.3331e-05 | 5.3331e-05 | 5.3331e-05 |   0.0 |  0.00
Modify  | 0.061839   | 0.061839   | 0.061839   |   0.0 |  0.12
Other   |            | 0.005453   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223952 ave      223952 max      223952 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223952
Ave neighs/atom = 111.976
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.341186774263, Press = -0.765207169256614
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    115000  -10468.81      -10468.81      -10532.489     -10532.489      246.4431       246.4431       27118.412      27118.412      2132.1399      2132.1399    
    116000  -10469.723     -10469.723     -10535.704     -10535.704      255.3518       255.3518       27149.398      27149.398      84.741291      84.741291    
Loop time of 49.9638 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.729 ns/day, 13.879 hours/ns, 20.014 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    | 49.882     | 49.882     | 49.882     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015033   | 0.015033   | 0.015033   |   0.0 |  0.03
Output  | 4.784e-05  | 4.784e-05  | 4.784e-05  |   0.0 |  0.00
Modify  | 0.061775   | 0.061775   | 0.061775   |   0.0 |  0.12
Other   |            | 0.005446   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223936 ave      223936 max      223936 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223936
Ave neighs/atom = 111.968
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.346317168795, Press = -1.10382188733347
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    116000  -10469.723     -10469.723     -10535.704     -10535.704      255.3518       255.3518       27149.398      27149.398      84.741291      84.741291    
    117000  -10466.524     -10466.524     -10532.913     -10532.913      256.9321       256.9321       27188.955      27188.955     -1863.0281     -1863.0281    
Loop time of 49.9451 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.730 ns/day, 13.874 hours/ns, 20.022 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    | 49.863     | 49.863     | 49.863     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014969   | 0.014969   | 0.014969   |   0.0 |  0.03
Output  | 2.7011e-05 | 2.7011e-05 | 2.7011e-05 |   0.0 |  0.00
Modify  | 0.06191    | 0.06191    | 0.06191    |   0.0 |  0.12
Other   |            | 0.005458   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223936 ave      223936 max      223936 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223936
Ave neighs/atom = 111.968
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.356145780719, Press = -0.836902072652022
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    117000  -10466.524     -10466.524     -10532.913     -10532.913      256.9321       256.9321       27188.955      27188.955     -1863.0281     -1863.0281    
    118000  -10469.924     -10469.924     -10534.134     -10534.134      248.4999       248.4999       27156.429      27156.429     -162.59229     -162.59229    
Loop time of 50.0726 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.725 ns/day, 13.909 hours/ns, 19.971 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    | 49.99      | 49.99      | 49.99      |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015033   | 0.015033   | 0.015033   |   0.0 |  0.03
Output  | 5.8881e-05 | 5.8881e-05 | 5.8881e-05 |   0.0 |  0.00
Modify  | 0.061808   | 0.061808   | 0.061808   |   0.0 |  0.12
Other   |            | 0.005454   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223930 ave      223930 max      223930 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223930
Ave neighs/atom = 111.965
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.366580611916, Press = -0.444208696768794
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    118000  -10469.924     -10469.924     -10534.134     -10534.134      248.4999       248.4999       27156.429      27156.429     -162.59229     -162.59229    
    119000  -10472.289     -10472.289     -10537.208     -10537.208      251.24237      251.24237      27129.481      27129.481      978.27385      978.27385    
Loop time of 49.9299 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.730 ns/day, 13.869 hours/ns, 20.028 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    | 49.848     | 49.848     | 49.848     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015007   | 0.015007   | 0.015007   |   0.0 |  0.03
Output  | 5.4622e-05 | 5.4622e-05 | 5.4622e-05 |   0.0 |  0.00
Modify  | 0.061814   | 0.061814   | 0.061814   |   0.0 |  0.12
Other   |            | 0.005459   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223916 ave      223916 max      223916 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223916
Ave neighs/atom = 111.958
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.354102112792, Press = -0.616220509812114
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    119000  -10472.289     -10472.289     -10537.208     -10537.208      251.24237      251.24237      27129.481      27129.481      978.27385      978.27385    
    120000  -10467.957     -10467.957     -10535.143     -10535.143      260.01649      260.01649      27143.781      27143.781      545.41055      545.41055    
Loop time of 50.0429 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.727 ns/day, 13.901 hours/ns, 19.983 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    | 49.96      | 49.96      | 49.96      |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015041   | 0.015041   | 0.015041   |   0.0 |  0.03
Output  | 5.2498e-05 | 5.2498e-05 | 5.2498e-05 |   0.0 |  0.00
Modify  | 0.061846   | 0.061846   | 0.061846   |   0.0 |  0.12
Other   |            | 0.005468   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223964 ave      223964 max      223964 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223964
Ave neighs/atom = 111.982
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.330231923524, Press = -0.899045233202292
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    120000  -10467.957     -10467.957     -10535.143     -10535.143      260.01649      260.01649      27143.781      27143.781      545.41055      545.41055    
    121000  -10472.771     -10472.771     -10537.593     -10537.593      250.86807      250.86807      27156.184      27156.184     -493.3891      -493.3891     
Loop time of 49.9994 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.728 ns/day, 13.889 hours/ns, 20.000 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    | 49.917     | 49.917     | 49.917     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015021   | 0.015021   | 0.015021   |   0.0 |  0.03
Output  | 5.2589e-05 | 5.2589e-05 | 5.2589e-05 |   0.0 |  0.00
Modify  | 0.061845   | 0.061845   | 0.061845   |   0.0 |  0.12
Other   |            | 0.005464   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223958 ave      223958 max      223958 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223958
Ave neighs/atom = 111.979
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.31823615771, Press = -0.915095303165977
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    121000  -10472.771     -10472.771     -10537.593     -10537.593      250.86807      250.86807      27156.184      27156.184     -493.3891      -493.3891     
    122000  -10468.848     -10468.848     -10534.884     -10534.884      255.56872      255.56872      27187.138      27187.138     -2112.3045     -2112.3045    
Loop time of 50.0779 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.725 ns/day, 13.911 hours/ns, 19.969 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    | 49.996     | 49.996     | 49.996     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014979   | 0.014979   | 0.014979   |   0.0 |  0.03
Output  | 3.9595e-05 | 3.9595e-05 | 3.9595e-05 |   0.0 |  0.00
Modify  | 0.061869   | 0.061869   | 0.061869   |   0.0 |  0.12
Other   |            | 0.005458   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223948 ave      223948 max      223948 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223948
Ave neighs/atom = 111.974
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.305354920116, Press = -0.687200393934651
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.134 | 4.134 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    122000  -10468.848     -10468.848     -10534.884     -10534.884      255.56872      255.56872      27187.138      27187.138     -2112.3045     -2112.3045    
    123000  -10464.929     -10464.929     -10533.322     -10533.322      264.68718      264.68718      27154.921      27154.921     -20.47439      -20.47439     
Loop time of 50.079 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.725 ns/day, 13.911 hours/ns, 19.968 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    | 49.997     | 49.997     | 49.997     |   0.0 | 99.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.015013   | 0.015013   | 0.015013   |   0.0 |  0.03
Output  | 2.6871e-05 | 2.6871e-05 | 2.6871e-05 |   0.0 |  0.00
Modify  | 0.061861   | 0.061861   | 0.061861   |   0.0 |  0.12
Other   |            | 0.00545    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4119 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       223932 ave      223932 max      223932 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 223932
Ave neighs/atom = 111.966
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
jump SELF break

# Write final averaged volume to file if temperature and volume have converged; otherwise wirte a
# flag to indicate non-convergence.
variable      myStep equal step
if "${myStep} < 2000000" then "print '${V}'  file output/vol_T253.15.out"  else  "print 'not_converged'  file output/vol_T253.15.out"
print '${V}'  file output/vol_T253.15.out
27152.1937272014

print "LAMMPS calculation completed"
LAMMPS calculation completed
quit 0