   1    0    0    0    0    0
   5.0000 15.0000   5  52  52   : GMAX, GMAXP, NTYP, NATM, NATM2
   1  0  : number of space group, type of bravis lattice
Cartesian
    25.00000000     0.0000000000     0.00000000000
     0.00000000    25.0000000000     0.00000000000
     0.00000000     0.0000000000    25.00000000000
    1      1       1       1      1      1     : knx,kny,knz, k-point shift
    1   0   : NCORD, NINV,   : IWEI, IMDTYP, ITYP
     4.584865636016      0.805402959875      7.459925403363   1  1001  4
     5.195517596011     -1.214256641591      8.921738622767   1  1001  3
     7.297628636948     -2.802907850000      8.380696469400   1  1001  3
     8.661613571991     -2.225892213339      6.149236042918   1  1001  3
     7.970196887643     -0.191617950432      4.665119755355   1  1001  3
     5.910211336208      1.323333311518      5.393995887518   1  1001  3
     1.190325189193      2.247666970265      8.604062589148   1  1001  1
     1.530453164307     -0.175388021109     11.247494216312   1  1001  5
     2.878234955654      4.876174350599     11.081455455463   1  1001  4
     3.511656495079     -1.676340843937     11.006537567161   1  1001  3
     4.111620064861     -3.688169962450     12.602717081508   1  1001  3
     6.244590339650     -5.207975596201     12.110763822176   1  1001  3
     7.814819414056     -4.825946600444     10.051113953000   1  1001  3
     3.399455180549      7.058620776396      9.829101144373   1  1001  3
     4.755576532106      9.100108857201     10.945990194779   1  1001  3
     5.585287490852      8.720765335369     13.462995633992   1  1001  3
     5.049540071187      6.484523809454     14.700936440054   1  1001  3
     3.671161974748      4.581569590994     13.451934708096   1  1001  3
    -2.522841258173      3.034546539521      9.493109474172   1  1001  4
     1.389201695031      5.081579454839      6.385828824123   1  1001  5
     2.520735250040      7.122031931011      7.260676203356   1  1001  3
     2.973477374891      9.336718783530      5.893588521015   1  1001  3
     4.285233250531     11.366169102076      7.013702614710   1  1001  3
     5.184737797439     11.291118341369      9.473148611106   1  1001  3
    -4.039720317127      1.815483310718      7.804749811286   1  1001  3
    -6.718094809306      2.104988715719      7.779058132010   1  1001  3
    -7.744688466476      3.736527458508      9.634111216145   1  1001  3
    -6.178144456484      4.939046653031     11.340531764876   1  1001  3
    -3.549796809423      4.546128338229     11.214738677867   1  1001  3
    -0.268595218494      0.103324626787      6.171097554098   1  1001  5
    -2.749191461250      0.223537931039      6.020595738351   1  1001  3
    -4.222701359327     -1.069421798503      4.254230927624   1  1001  3
    -6.864550858403     -0.769275798275      4.232950160503   1  1001  3
    -8.124188273302      0.774086527537      5.934391790954   1  1001  3
    10.246651553108     -3.423952919736      5.599455827814   1  1001  2
     8.977573201478      0.251109370079      2.928005580896   1  1001  2
     5.282287452426      2.942686610069      4.288304722729   1  1001  2
     2.885406907048     -4.092681012169     14.205257883899   1  1001  2
     6.649104930566     -6.766228441848     13.397914910805   1  1001  2
     9.422108868702     -6.060916170398      9.695570394346   1  1001  2
     6.660687052912     10.205796629752     14.405881511206   1  1001  2
     5.689008400502      6.160471547633     16.628769873714   1  1001  2
     3.210812293332      2.784103953319     14.343282448986   1  1001  2
     2.317442121842      9.459127551322      3.946840647425   1  1001  2
     4.615552934217     13.057151453892      5.882100195748   1  1001  2
     6.215606281964     12.881497703131     10.275833287874   1  1001  2
    -9.784082158165      4.032637364486      9.696920069590   1  1001  2
    -6.939640847595      6.196031301543     12.779115513028   1  1001  2
    -2.263837539329      5.479010455377     12.524853758120   1  1001  2
    -3.285032386309     -2.291285503115      2.889676328180   1  1001  2
    -7.950700570587     -1.791531009833      2.810277190383   1  1001  2
   -10.171154645627      0.977413627772      5.866722660754   1  1001  2
   13  0.1500     26.98154 3 1 0.d0  : TYPE 1 IATOMN,ALFA,AMION,ILOC,IVAN
    1  0.1500      2.00797 3 1 0.d0  : TYPE 2 IATOMN,ALFA,AMION,ILOC,IVAN
    6  0.1500     12.0107  3 1 0.d0  : TYPE 3 IATOMN,ALFA,AMION,ILOC,IVAN
    7  0.1500     14.00674 3 1 0.d0  : TYPE 4 IATOMN,ALFA,AMION,ILOC,IVAN
    8  0.1500     15.9994  3 1 0.d0  : TYPE 5 IATOMN,ALFA,AMION,ILOC,IVAN
  0 0 0 0 0  : icond, inipos, inivel, ininos, iniacc
    0   1   : IPRE, IPRI
    0100   0001     0    70000.00  0 : NMD1, NMD2, iter_last, CPUMAX,ifstop
    6   1  : Simple=1,Broyd2=3,Blugel=6,    1:charge, 2:potential mix.
    0  50   0.5 : starting mixing, kbxmix,alpha
   0.60  0.50  0.60  0.70  1.00    : DTIM1, DTIM2, DTIM3, DTIM4, dtim_last
 100.00    -1     1    0.10D-07  1.d-06  : DTIO ,IMDALG, IEXPL, EDELTA
   0.005   0.1D+02    0           : WIDTH,FORCCR,ISTRESS
ggapbe          1                 : XCTYPE, nspin
   1.00     3                     : destm, n_stm
 102  : NBZTYP 0-SF, 1-BK, 2-SC, 3-BCC, 4-FCC, 5-DIA, 6-HEX
    0   0   0   : NKX, NKY, NKZ
    0   0   0   : NKX2,NKY2,NKZ2
  102           : NEG
        1       : NEXTST(MB)
        0       : 0; random numbers, 1; matrix diagon
        2      0      0      0(MB) : imsd, i_2lm, i_sd2another, wksz for phase
        0       : evaluation of eko difference.0 = no ,1 = yes
        0
        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
