  1   0   0   0   0   0
     5.0000 15.0000   2  12  12   : 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     12.46770677000
     4    8    4    2    2    2  :  K_mesh
     1    0      : ncord,ninv : iwei,imdtyp,ityp
         0.0000000000     -2.8280000000      2.4333261000    1    1    2
         0.0000000000      0.0000000000      0.0000000000    1    1    1
        -6.2338533829     -2.8280000000      0.0000000000    1    1    1
         3.8005282827      0.0000000000      0.0000000000    1    1    2
        -3.8005282827      0.0000000000      0.0000000000    1    1    2
         0.0000000000     -2.8280000000     -2.4333261000    1    1    2
        -6.2338533829     -2.8280000000     -3.8005282820    1    1    2
         6.2338533829      0.0000000000     -6.2338533829    1    1    1
         0.0000000000     -2.8280000000     -6.2338533829    1    1    1
        10.0343816678      0.0000000000     -6.2338533829    1    1    2
         2.4333251010      0.0000000000     -6.2338533829    1    1    2
        -6.2338533829     -2.8280000000     -8.6671784832    1    1    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
     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    0.50D-08      : dtio ,imdalg, iexpl, edelta
     0.0002  0.50D+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
