  1   0   0   0   0   0
     5.0000 15.0000   3  19  19   : gmax, gmaxp, ktyp, katm, katm2
     1    0         : num_space_group, type
Cartesian
   12.4677067700    0.0000000000      0.00000000000
    0.0000000000    5.6560000000      0.00000000000
    0.0000000000    0.0000000000     62.33853383000
     2    4    1    2    2    1  :  K_mesh
     1    0      : ncord,ninv : iwei,imdtyp,ityp
       1.338629865862     -2.813471062139      4.099342537082      1    1    3
      -0.065508288596     -2.813771269267      2.890420645293      1    1    2
      -0.094793404882      0.012982613783      0.184749541786      1    1    1
      -6.285094810187     -2.815988774919     -0.226361892642      1    1    1
       3.839310721605      0.013349515601      0.601077309974      1    1    2
      -3.854304888067      0.013248230333      0.435153152908      1    1    2
       0.015248871030     -2.815564139974     -2.046785823898      1    1    2
      -6.294457357734     -2.823056357041     -3.667718598562      1    1    2
       6.230354180914      0.004060509156     -6.328352035848    1    1    1
      -0.004650974200     -2.825566853723     -6.285324088567    1    1    1
       9.988099384343      0.004174835399     -6.005063161462    1    1    2
       2.438306367151      0.004117209323     -6.031521648542    1    1    2
      -6.240251218292     -2.824937687926     -8.787167093116    1    1    2
      -0.010721151723     -2.826546577081     -9.795649797898    1    1    2
       0.000000000000      0.000000000000    -12.467706768600    1    0    1
      -6.233853382900     -2.828000000200    -12.467706768600    1    0    1
       3.800528282700      0.000000000000    -12.467706768600    1    0    2
      -3.800528282700      0.000000000000    -12.467706768600    1    0    2
       0.000000000000     -2.828000000200    -14.901031880000    1    0    2
    22.00  0.20     30.50  6  1  0.00 : type,iatomn,alfa,amion,iloc,ivan,zeta1
     8.00  0.20     30.50  3  1  0.00 : type,iatomn,alfa,amion,iloc,ivan,zeta1
     1.00  0.20     30.50  3  1  0.00 : type,iatomn,alfa,amion,iloc,ivan,zeta1
     0 0 0 0 0 : icond 0-md,1-cont.md,2-wave fn,3-charge den.,iconstpw
     0    1    : ipre, ipri
  3000  600    0 35000.00    0 : nmd1,nmd2,last_iter,cpumax,ifstop
     6    1         : SIMPLE=1,BROYD1=2,BROYD2=3,DFP=4,PULAY=5
     0   20 0.40    : iter_start, KBXMIX,  MIX_ALPHA
     0.20  0.30  0.20  0.20  0.20      : dtim1,dtim2,dtim3,dtim4,dtim
   500.00     4     1    0.10D-07      : dtio ,imdalg, iexpl, edelta
     0.010  1.00D-03    0             : width,forccr,istress
ggapbe     1                           : xctype,kspin
     2.00                    : destm
   102  : nbztyp 0-sf, 1-bk, 2-sc, 3-bcc, 4-fcc, 5-dia, 6-hex
     4    4    4
     4    4    4
    80         : keg
     1         : nextst(mb)
     0         : 0 random numbers 1: matrix
     2         : imsd  1=MSD, 2=Preconditioned
     0         : evaluate_eko_diff
     0         : npdosao
     0   0.000 : sm_n, dopping
    2                                   : mvelsc
  300.0D0   30.0D0    30       1.0D0    : tempw,tolp,nroll,anneal
  500.0D0    8        15       1        : wnosep,nhc,nosy,ndrt
    5.0D-8                              : frict
    0                                   : mcnstr
    DIST    1    3            1.83401
    DIST    2    3            1.83401
    BEND    1    3    2     104.23195

