  1   0   0   0   0   0
     4.0000  8.0000   1   4   4   : gmax, gmaxp, ktyp, katm, katm2
     1    0         : num_space_group, type
Cartesian
        5.41177104        0.00000000        0.00000000
        2.70588552        4.68673120        0.00000000
        0.00000000        0.00000000       44.18692550
     6    6    1    1    1    1  :  K_mesh
     1    0      : ncord,ninv : iwei,imdtyp,ityp
        0.00000000        0.000000000000    6.628038825324  1  1  1
        0.00000000        3.124487466236    2.209346275108  1  0  1
        0.00000000       -3.124487466236   -2.209346275108  1  0  1
        0.00000000        0.000000000000   -6.628038825324  1  1  1
 13.00  0.50   5.9858  2  1  0.0  : type,iatomn,alfa,amion,iloc,ivan,zeta1
  0 0 0 0 0  : icond, inipos, inivel, ininos, iniacc 
     0    1    : ipre, ipri
  1000 1000    0  60000.00    0 : nmd1,nmd2,last_iter,cpumax,ifstop
     6    1         : SIMPLE=1,BROYD1=2,BROYD2=3,DFP=4,PULAY=5
     0   30 0.60    : iter_start, KBXMIX,  MIX_ALPHA
     0.20  0.30  0.20  0.20  0.20      : dtim1,dtim2,dtim3,dtim4,dtim
   600.00     4     1    2.00D-09      : dtio ,imdalg, iexpl, edelta
    -0.0050  1.00D+03    0             : width,forccr,istress
ggapbe     1                           : xctype,kspin
     1.00                    : destm
   101  : nbztyp 0-sf, 1-bk, 2-sc, 3-bcc, 4-fcc, 5-dia, 6-hex
     4    4    4
     4    4    4
    12         : keg
     1         : nextst(mb)
     0         : 0 random numbers 1: matrix
     2         : imsd  1=MSD, 2=Preconditioned
     0         : evaluate_eko_diff
        0      : npdosao
        0    0.0
    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
