#-------------------------------------------------------------------------------
# Stage 2.2: Minimization
#-------------------------------------------------------------------------------

min_style		cg
min_modify		dmax 0.05 line fast
reset_timestep		0
thermo_style		custom step fmax fnorm press vol v_sysdensity v_sxx v_syy v_szz v_syz v_sxz v_sxy pe v_cella v_cellb v_cellc v_cellalpha v_cellbeta v_cellgamma v_sum_fx v_sum_fy v_sum_fz
WARNING: New thermo_style command, previous thermo_modify settings will be lost (../output.cpp:888)
dump			sci all custom 1000 2.2.xyz id mol type q xs ys zs
thermo			100
minimize		0.0 1.0 1000 10000
PPPM initialization ...
WARNING: System is not charge neutral, net charge = 0.0616 (../kspace.cpp:325)
  using 12-bit tables for long-range coulomb (../kspace.cpp:340)
  G vector (1/distance) = 0.32104129
  grid = 72 72 60
  stencil order = 5
  estimated absolute RMS force accuracy = 0.0035806992
  estimated relative force accuracy = 1.0783169e-05
  using double precision KISS FFT
  3d grid and FFT values/proc = 23125 10368
  generated 0 of 36 mixed pair_coeff terms from sixthpower mixing rule
Neighbor list info ...
  update every 1 steps, delay 0 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 11.5
  ghost atom cutoff = 11.5
  binsize = 5.75, bins = 14 14 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair lj/class2/coul/long, perpetual
      attributes: half, newton on
      pair build: half/bin/newton
      stencil: half/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.63 | 15.06 | 15.62 Mbytes
Step Fmax Fnorm Press Volume v_sysdensity v_sxx v_syy v_szz v_syz v_sxz v_sxy PotEng v_cella v_cellb v_cellc v_cellalpha v_cellbeta v_cellgamma v_sum_fx v_sum_fy v_sum_fz 
       0    13841.604    140570.87    386185.21     400035.3   0.91038687   -389331.95      -381392   -387831.67    2949.3293   -9942.9968   -170.19951    921277.63     79.14968      76.7349    65.865231    1.5707963    1.5707963    1.5707963 -1.1823431e-10 -2.7284841e-12 -1.6461854e-10 
ERROR: Lost atoms: original 27300 current 0 (../thermo.cpp:436)
Last command: minimize		0.0 1.0 1000 10000