
 **** DERIVATIVE DATABASE ****    
+DDB, Version number    100401

 AlAs DDB file for multibinit

    usepaw         1
     natom         4
      nkpt         8
    nsppol         1
      nsym        12
    ntypat         2
    occopt         7
     nband        10
     acell  0.75389648144000D+01  0.75389648144000D+01  0.12277795374000D+02
       amu  0.26981539000000D+02  0.74921590000000D+02
   dilatmx  0.10000000000000D+01
      ecut  0.60000000000000D+01
 pawecutdg  0.60000000000000D+01
    ecutsm  0.50000000000000D+00
     intxc         0
      iscf         7
       ixc         7
       kpt  0.00000000000000D+00  0.00000000000000D+00  0.25000000000000D+00
            0.50000000000000D+00  0.00000000000000D+00  0.25000000000000D+00
            0.00000000000000D+00  0.50000000000000D+00  0.25000000000000D+00
            0.50000000000000D+00  0.50000000000000D+00  0.25000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00 -0.25000000000000D+00
            0.50000000000000D+00  0.00000000000000D+00 -0.25000000000000D+00
            0.00000000000000D+00  0.50000000000000D+00 -0.25000000000000D+00
            0.50000000000000D+00  0.50000000000000D+00 -0.25000000000000D+00
    kptnrm  0.10000000000000D+01
     ngfft        18   18   30
    nspden         1
   nspinor         1
       occ  0.20000000000000D+01  0.20000000000000D+01  0.20000000000000D+01
            0.20000000000000D+01  0.20000000000000D+01  0.20000000000000D+01
            0.20000000000000D+01  0.20000000000000D+01  0.00000000000000D+00
            0.00000000000000D+00
     rprim  0.86602540378444D+00  0.50000000000000D+00  0.00000000000000D+00
           -0.86602540378444D+00  0.50000000000000D+00  0.00000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.10000000000000D+01
  dfpt_sciss  0.00000000000000D+00
    spinat  0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
    symafm         1    1    1    1    1    1    1    1    1    1    1    1
    symrel         1    0    0    0    1    0    0    0    1
                   0    1    0    1    0    0    0    0    1
                   1    1    0   -1    0    0    0    0    1
                  -1    0    0    1    1    0    0    0    1
                   0    1    0   -1   -1    0    0    0    1
                  -1   -1    0    0    1    0    0    0    1
                  -1    0    0    0   -1    0    0    0    1
                   0   -1    0   -1    0    0    0    0    1
                  -1   -1    0    1    0    0    0    0    1
                   1    0    0   -1   -1    0    0    0    1
                   0   -1    0    1    1    0    0    0    1
                   1    1    0    0   -1    0    0    0    1
     tnons  0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.50000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.50000000000000D+00
           -0.11102230246252D-15  0.00000000000000D+00  0.00000000000000D+00
           -0.11102230246252D-15  0.00000000000000D+00  0.00000000000000D+00
           -0.11102230246252D-15 -0.11102230246252D-15  0.50000000000000D+00
           -0.11102230246252D-15 -0.11102230246252D-15  0.50000000000000D+00
           -0.11102230246252D-15 -0.11102230246252D-15  0.00000000000000D+00
           -0.11102230246252D-15 -0.11102230246252D-15  0.00000000000000D+00
            0.00000000000000D+00 -0.11102230246252D-15  0.50000000000000D+00
            0.00000000000000D+00 -0.11102230246252D-15  0.50000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
    tolwfr  0.10000000000000D+01
   tphysel  0.00000000000000D+00
    tsmear  0.50000000000000D-02
     typat         1    1    2    2
       wtk  0.12500000000000D+00  0.12500000000000D+00  0.12500000000000D+00
            0.12500000000000D+00  0.12500000000000D+00  0.12500000000000D+00
            0.12500000000000D+00  0.12500000000000D+00
      xred  0.33333333333333D+00  0.66666666666667D+00  0.00000000000000D+00
            0.66666666666667D+00  0.33333333333333D+00  0.50000000000000D+00
            0.33333333333333D+00  0.66666666666667D+00  0.37608588373000D+00
            0.66666666666667D+00  0.33333333333333D+00  0.87608588373000D+00
     znucl  0.13000000000000D+02  0.33000000000000D+02
      zion  0.30000000000000D+01  0.50000000000000D+01
 
  Description of the PAW dataset(s)
  vrsio8 (for pseudopotentials)=100401
  usepaw =  1
  Atom type=   1 basis_size=  4   lmn_size=    8
    Basis functions= 0 0 1 1
    r_PAW=  2.015 shape_type=  2  r_shape=  2.015
    Dij0=     (only the  12 values different from zero)
       i    j     Dij0        i    j     Dij0        i    j     Dij0        i    j     Dij0
       1    1  2.85637E-01    1    2 -5.41949E-02    2    2  1.45775E+01    3    3  1.01040E-01
       4    4  1.01040E-01    5    5  1.01040E-01    3    6 -1.57377E-01    6    6  6.16903E-01
       4    7 -1.57377E-01    7    7  6.16903E-01    5    8 -1.57377E-01    8    8  6.16903E-01
  Atom type=   2 basis_size=  4   lmn_size=    8
    Basis functions= 0 0 1 1
    r_PAW=  2.209 shape_type=  2  r_shape=  2.209
    Dij0=     (only the  12 values different from zero)
       i    j     Dij0        i    j     Dij0        i    j     Dij0        i    j     Dij0
       1    1  7.97710E-02    1    2 -4.21889E-02    2    2  1.33578E+00    3    3 -2.41306E-02
       4    4 -2.41306E-02    5    5 -2.41306E-02    3    6  4.48673E-02    6    6 -5.82666E-02
       4    7  4.48673E-02    7    7 -5.82666E-02    5    8  4.48673E-02    8    8 -5.82666E-02
 
 **** Database of total energy derivatives ****
 Number of data blocks=    3
  
 Total energy                 - # elements :       1
 -0.17145176621664D+02  0.00000000000000D+00
  
 1st derivatives              - # elements :      18
   1   1  0.00000000000000D+00  0.00000000000000D+00
   2   1  0.00000000000000D+00  0.00000000000000D+00
   3   1  0.16548616540511D-01  0.00000000000000D+00
   1   2  0.00000000000000D+00  0.00000000000000D+00
   2   2  0.00000000000000D+00  0.00000000000000D+00
   3   2  0.16548616540511D-01  0.00000000000000D+00
   1   3  0.00000000000000D+00  0.00000000000000D+00
   2   3  0.00000000000000D+00  0.00000000000000D+00
   3   3 -0.18686402973641D-01  0.00000000000000D+00
   1   4  0.00000000000000D+00  0.00000000000000D+00
   2   4  0.00000000000000D+00  0.00000000000000D+00
   3   4 -0.18686402973641D-01  0.00000000000000D+00
   1   7 -0.17822966736202D-03  0.00000000000000D+00
   2   7 -0.17822966736202D-03  0.00000000000000D+00
   3   7  0.91062556013954D-04  0.00000000000000D+00
   1   8  0.00000000000000D+00  0.00000000000000D+00
   2   8  0.00000000000000D+00  0.00000000000000D+00
   3   8  0.00000000000000D+00  0.00000000000000D+00
  
 2nd derivatives (non-stat.)  - # elements :     363
 qpt  0.00000000E+00  0.00000000E+00  0.00000000E+00   1.0
   1   1   1   1  0.59174333884746D+01  0.00000000000000D+00
   2   1   1   1 -0.29587166942373D+01  0.00000000000000D+00
   3   1   1   1  0.92757386188540D-14  0.00000000000000D+00
   1   2   1   1  0.59985903338351D-01  0.11114987116569D-16
   2   2   1   1 -0.29992951669175D-01  0.80799946229929D-17
   3   2   1   1 -0.12426321462297D-15 -0.23328523252124D-16
   1   3   1   1 -0.29989177054136D+00  0.22642872337338D-15
   2   3   1   1  0.14994588527068D+00 -0.32642421968065D-16
   3   3   1   1 -0.20010285401117D-14  0.63899067818992D-16
   1   4   1   1 -0.55386212110119D+01  0.81379720311564D-16
   2   4   1   1  0.27693106055059D+01 -0.19056735796356D-15
   3   4   1   1 -0.71504468641114D-14  0.22477110307109D-16
   1   6   1   1 -0.12307877479617D+02  0.00000000000000D+00
   2   6   1   1 -0.10067405242786D-10  0.00000000000000D+00
   3   6   1   1 -0.95877646100194D-12  0.00000000000000D+00
   1   1   2   1 -0.29587166942373D+01  0.00000000000000D+00
   2   1   2   1  0.59174333884746D+01  0.00000000000000D+00
   3   1   2   1 -0.53006404025530D-14  0.00000000000000D+00
   1   2   2   1 -0.29992951669175D-01  0.80799946229929D-17
   2   2   2   1  0.59985903338353D-01 -0.48377428949603D-16
   3   2   2   1 -0.41047972031461D-15 -0.20117005113729D-16
   1   3   2   1  0.14994588527068D+00 -0.32642421968065D-16
   2   3   2   1 -0.29989177054136D+00  0.13321032871779D-16
   3   3   2   1  0.14912459014122D-14 -0.11062558411528D-15
   1   4   2   1  0.27693106055059D+01 -0.19056735796356D-15
   2   4   2   1 -0.55386212110119D+01 -0.10622672922201D-16
   3   4   2   1  0.42198742214589D-14  0.75765381764894D-16
   1   6   2   1  0.12919136391463D-10  0.00000000000000D+00
   2   6   2   1 -0.12307877479569D+02  0.00000000000000D+00
   3   6   2   1  0.11338083250045D-11  0.00000000000000D+00
   1   1   3   1  0.92757386188528D-14  0.00000000000000D+00
   2   1   3   1 -0.53006404025495D-14  0.00000000000000D+00
   3   1   3   1  0.16275641857778D+02  0.00000000000000D+00
   1   2   3   1 -0.12426321462151D-15 -0.23328523252124D-16
   2   2   3   1 -0.41047972031576D-15 -0.20117005113729D-16
   3   2   3   1 -0.27558614784073D+01  0.23520399374824D-16
   1   3   3   1 -0.20010285401164D-14  0.63899067818992D-16
   2   3   3   1  0.14912459014046D-14 -0.11062558411528D-15
   3   3   3   1 -0.81255567578012D+01  0.10460866496252D-14
   1   4   3   1 -0.71504468641109D-14  0.22477110307109D-16
   2   4   3   1  0.42198742214575D-14  0.75765381764894D-16
   3   4   3   1 -0.52606235966139D+01 -0.94596692148418D-15
   1   6   3   1 -0.10998337657275D-10  0.00000000000000D+00
   2   6   3   1 -0.95315318138223D-11  0.00000000000000D+00
   3   6   3   1 -0.41264294217275D+01  0.00000000000000D+00
   1   1   1   2  0.59985903338351D-01 -0.11114987116569D-16
   2   1   1   2 -0.29992951669175D-01 -0.80799946229929D-17
   3   1   1   2 -0.12426321462127D-15  0.23328523252124D-16
   1   2   1   2  0.59174333884746D+01  0.00000000000000D+00
   2   2   1   2 -0.29587166942373D+01  0.00000000000000D+00
   3   2   1   2 -0.23335941769129D-14  0.00000000000000D+00
   1   3   1   2 -0.55386212110119D+01 -0.41893985323047D-16
   2   3   1   2  0.27693106055059D+01 -0.13182289297041D-16
   3   3   1   2  0.48382211611390D-14  0.35226433112105D-16
   1   4   1   2 -0.29989177054136D+00 -0.34969010530726D-15
   2   4   1   2  0.14994588527068D+00  0.11868280985416D-15
   3   4   1   2 -0.23803637695927D-14  0.37964599534854D-16
   1   6   1   2 -0.12307877479590D+02  0.00000000000000D+00
   2   6   1   2  0.30070390621972D-11  0.00000000000000D+00
   3   6   1   2 -0.16708925909548D-11  0.00000000000000D+00
   1   1   2   2 -0.29992951669175D-01 -0.80799946229929D-17
   2   1   2   2  0.59985903338353D-01  0.48377428949603D-16
   3   1   2   2 -0.41047972031147D-15  0.20117005113729D-16
   1   2   2   2 -0.29587166942373D+01  0.00000000000000D+00
   2   2   2   2  0.59174333884746D+01  0.00000000000000D+00
   3   2   2   2  0.20320985217345D-14  0.00000000000000D+00
   1   3   2   2  0.27693106055059D+01 -0.13182289297041D-16
   2   3   2   2 -0.55386212110119D+01 -0.20085728044173D-15
   3   3   2   2 -0.30134569107104D-14 -0.28631722756723D-16
   1   4   2   2  0.14994588527068D+00  0.11868280985416D-15
   2   4   2   2 -0.29989177054136D+00 -0.15107695125930D-15
   3   4   2   2  0.13918381092952D-14 -0.20784191583165D-16
   1   6   2   2  0.35929151725548D-11  0.00000000000000D+00
   2   6   2   2 -0.12307877479589D+02  0.00000000000000D+00
   3   6   2   2  0.38042208272415D-11  0.00000000000000D+00
   1   1   3   2 -0.12426321462322D-15  0.23328523252124D-16
   2   1   3   2 -0.41047972031437D-15  0.20117005113729D-16
   3   1   3   2 -0.27558614784073D+01 -0.23520399374824D-16
   1   2   3   2 -0.23335941769151D-14  0.00000000000000D+00
   2   2   3   2  0.20320985217372D-14  0.00000000000000D+00
   3   2   3   2  0.16275641857778D+02  0.00000000000000D+00
   1   3   3   2  0.48382211611314D-14  0.35226433112105D-16
   2   3   3   2 -0.30134569107052D-14 -0.28631722756723D-16
   3   3   3   2 -0.52606235966138D+01  0.96200234801048D-15
   1   4   3   2 -0.23803637695926D-14  0.37964599534854D-16
   2   4   3   2  0.13918381092865D-14 -0.20784191583165D-16
   3   4   3   2 -0.81255567578012D+01  0.45405426957614D-15
   1   6   3   2 -0.63517385795464D-11  0.00000000000000D+00
   2   6   3   2  0.83661549910019D-12  0.00000000000000D+00
   3   6   3   2 -0.41264294217273D+01  0.00000000000000D+00
   1   1   1   3 -0.29989221825434D+00 -0.22642872337338D-15
   2   1   1   3  0.14994610912717D+00  0.32642421968065D-16
   3   1   1   3 -0.20010285401167D-14 -0.63899067818992D-16
   1   2   1   3 -0.55386210891936D+01  0.41893985323047D-16
   2   2   1   3  0.27693105445968D+01  0.13182289297041D-16
   3   2   1   3  0.48382211611297D-14 -0.35226433112105D-16
   1   3   1   3  0.50136893682174D+01  0.00000000000000D+00
   2   3   1   3 -0.25068446841087D+01  0.00000000000000D+00
   3   3   1   3 -0.40424261302208D-14  0.00000000000000D+00
   1   4   1   3  0.13467706625552D+00  0.45223863706268D-15
   2   4   1   3 -0.67338533127762D-01 -0.14999516706107D-15
   3   4   1   3  0.12052335091897D-14 -0.49413644963855D-16
   1   6   1   3 -0.73533665471963D+02  0.00000000000000D+00
   2   6   1   3  0.90167040500688D-11  0.00000000000000D+00
   3   6   1   3 -0.97245744443142D-11  0.00000000000000D+00
   1   1   2   3  0.14994610912717D+00  0.32642421968065D-16
   2   1   2   3 -0.29989221825434D+00 -0.13321032871779D-16
   3   1   2   3  0.14912459014052D-14  0.11062558411528D-15
   1   2   2   3  0.27693105445968D+01  0.13182289297041D-16
   2   2   2   3 -0.55386210891936D+01  0.20085728044173D-15
   3   2   2   3 -0.30134569107036D-14  0.28631722756723D-16
   1   3   2   3 -0.25068446841087D+01  0.00000000000000D+00
   2   3   2   3  0.50136893682174D+01  0.00000000000000D+00
   3   3   2   3  0.16758084750488D-14  0.00000000000000D+00
   1   4   2   3 -0.67338533127762D-01 -0.14999516706107D-15
   2   4   2   3  0.13467706625552D+00 -0.12687460985414D-15
   3   4   2   3 -0.15359746580606D-15  0.68849258295403D-16
   1   6   2   3  0.24123325823167D-10  0.00000000000000D+00
   2   6   2   3 -0.73533665471941D+02  0.00000000000000D+00
   3   6   2   3  0.16878289998273D-10  0.00000000000000D+00
   1   1   3   3 -0.20010285401164D-14 -0.63899067818992D-16
   2   1   3   3  0.14912459014044D-14  0.11062558411528D-15
   3   1   3   3 -0.81253364031997D+01 -0.10460866496252D-14
   1   2   3   3  0.48382211611374D-14 -0.35226433112105D-16
   2   2   3   3 -0.30134569107021D-14  0.28631722756723D-16
   3   2   3   3 -0.52606235966138D+01 -0.96200234801048D-15
   1   3   3   3 -0.40424261302012D-14  0.00000000000000D+00
   2   3   3   3  0.16758084750785D-14  0.00000000000000D+00
   3   3   3   3  0.14950409345401D+02  0.00000000000000D+00
   1   4   3   3  0.12052335091706D-14 -0.49413644963855D-16
   2   4   3   3 -0.15359746577489D-15  0.68849258295403D-16
   3   4   3   3 -0.17705269392664D+01  0.13313962162890D-16
   1   6   3   3 -0.60689960002117D-11  0.00000000000000D+00
   2   6   3   3 -0.42739978223415D-11  0.00000000000000D+00
   3   6   3   3 -0.41982668330864D+02  0.00000000000000D+00
   1   1   1   4 -0.55386210891936D+01 -0.81379720311564D-16
   2   1   1   4  0.27693105445968D+01  0.19056735796356D-15
   3   1   1   4 -0.71504468641125D-14 -0.22477110307109D-16
   1   2   1   4 -0.29989221825434D+00  0.34969010530726D-15
   2   2   1   4  0.14994610912717D+00 -0.11868280985416D-15
   3   2   1   4 -0.23803637695926D-14 -0.37964599534854D-16
   1   3   1   4  0.13467706625552D+00 -0.45223863706268D-15
   2   3   1   4 -0.67338533127762D-01  0.14999516706107D-15
   3   3   1   4  0.12052335091740D-14  0.49413644963855D-16
   1   4   1   4  0.50136893682174D+01  0.00000000000000D+00
   2   4   1   4 -0.25068446841087D+01  0.00000000000000D+00
   3   4   1   4  0.83255771245196D-14  0.00000000000000D+00
   1   6   1   4 -0.73533665471984D+02  0.00000000000000D+00
   2   6   1   4 -0.16993489948547D-10  0.00000000000000D+00
   3   6   1   4 -0.37413704946643D-11  0.00000000000000D+00
   1   1   2   4  0.27693105445968D+01  0.19056735796356D-15
   2   1   2   4 -0.55386210891936D+01  0.10622672922201D-16
   3   1   2   4  0.42198742214575D-14 -0.75765381764894D-16
   1   2   2   4  0.14994610912717D+00 -0.11868280985416D-15
   2   2   2   4 -0.29989221825434D+00  0.15107695125930D-15
   3   2   2   4  0.13918381092693D-14  0.20784191583165D-16
   1   3   2   4 -0.67338533127762D-01  0.14999516706107D-15
   2   3   2   4  0.13467706625552D+00  0.12687460985414D-15
   3   3   2   4 -0.15359746577489D-15 -0.68849258295403D-16
   1   4   2   4 -0.25068446841087D+01  0.00000000000000D+00
   2   4   2   4  0.50136893682174D+01  0.00000000000000D+00
   3   4   2   4 -0.54581148649365D-14  0.00000000000000D+00
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   2   1   3   4  0.42198742214606D-14 -0.75765381764894D-16
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   2   2   3   4  0.13918381092866D-14  0.20784191583165D-16
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   1   3   3   4  0.12052335091862D-14  0.49413644963855D-16
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   1   3   1   7 -0.91390645492330D+00  0.00000000000000D+00
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   3   2   2   7  0.79291331954332D+00  0.00000000000000D+00
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   2   3   2   7 -0.91390659839874D+00  0.00000000000000D+00
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   2   6   2   7  0.29404298380451D-11  0.00000000000000D+00
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   2   7   2   7  0.38489921748629D+01  0.00000000000000D+00
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   2   8   2   7  0.39859728744579D-12  0.00000000000000D+00
   3   8   2   7  0.20837936983251D-09  0.00000000000000D+00
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   1   4   3   7 -0.80443349343240D-12  0.00000000000000D+00
   2   4   3   7  0.81198851536706D-12  0.00000000000000D+00
   3   4   3   7  0.21510179952921D+01  0.00000000000000D+00
   1   6   3   7 -0.10327226149170D-11  0.00000000000000D+00
   2   6   3   7  0.23836959137028D-12  0.00000000000000D+00
   3   6   3   7 -0.30663646143715D+01  0.00000000000000D+00
   1   7   3   7  0.36532738306622D+00  0.00000000000000D+00
   2   7   3   7  0.36532738363791D+00  0.00000000000000D+00
   3   7   3   7  0.34104608260151D+01  0.00000000000000D+00
   1   8   3   7  0.14046029648828D-11  0.00000000000000D+00
   2   8   3   7  0.42774560230686D-12  0.00000000000000D+00
   3   8   3   7  0.11114602270091D-09  0.00000000000000D+00
   1   1   1   8  0.39920451767822D+00  0.00000000000000D+00
   2   1   1   8  0.39920451766626D+00  0.00000000000000D+00
   3   1   1   8 -0.36862442942114D-10  0.00000000000000D+00
   1   2   1   8  0.39920451766904D+00  0.00000000000000D+00
   2   2   1   8  0.39920451767546D+00  0.00000000000000D+00
   3   2   1   8 -0.32421838511611D-10  0.00000000000000D+00
   1   3   1   8 -0.38399893402739D+00  0.00000000000000D+00
   2   3   1   8 -0.38399893399319D+00  0.00000000000000D+00
   3   3   1   8  0.15320101082558D-10  0.00000000000000D+00
   1   4   1   8 -0.38399893399365D+00  0.00000000000000D+00
   2   4   1   8 -0.38399893402693D+00  0.00000000000000D+00
   3   4   1   8  0.14460531257118D-10  0.00000000000000D+00
   1   6   1   8  0.52209625313893D+01  0.00000000000000D+00
   2   6   1   8  0.52209625313888D+01  0.00000000000000D+00
   3   6   1   8  0.38956261436903D-10  0.00000000000000D+00
   1   7   1   8  0.26982532953104D-11  0.00000000000000D+00
   2   7   1   8 -0.19696012882253D-11  0.00000000000000D+00
   3   7   1   8  0.70214300253950D-11  0.00000000000000D+00
   1   8   1   8  0.71003515767218D+00  0.00000000000000D+00
   2   8   1   8  0.10891086358616D-09  0.00000000000000D+00
   3   8   1   8  0.45129645281481D-12  0.00000000000000D+00
   1   1   2   8  0.69142071934738D+00  0.00000000000000D+00
   2   1   2   8 -0.69142071934596D+00  0.00000000000000D+00
   3   1   2   8 -0.25447958856082D-09  0.00000000000000D+00
   1   2   2   8  0.69142071934992D+00  0.00000000000000D+00
   2   2   2   8 -0.69142071934827D+00  0.00000000000000D+00
   3   2   2   8  0.26301434368053D-09  0.00000000000000D+00
   1   3   2   8 -0.66508376345521D+00  0.00000000000000D+00
   2   3   2   8  0.66508376345497D+00  0.00000000000000D+00
   3   3   2   8 -0.73366752355948D-06  0.00000000000000D+00
   1   4   2   8 -0.66508376342014D+00  0.00000000000000D+00
   2   4   2   8  0.66508376342004D+00  0.00000000000000D+00
   3   4   2   8  0.73365933685984D-06  0.00000000000000D+00
   1   6   2   8  0.30148036122192D+01  0.00000000000000D+00
   2   6   2   8 -0.30148036122182D+01  0.00000000000000D+00
   3   6   2   8 -0.17794953044336D-10  0.00000000000000D+00
   1   7   2   8  0.11445160263602D-10  0.00000000000000D+00
   2   7   2   8  0.79836492523119D-12  0.00000000000000D+00
   3   7   2   8  0.59610089801989D-11  0.00000000000000D+00
   1   8   2   8  0.10891080161001D-09  0.00000000000000D+00
   2   8   2   8  0.71002305840183D+00  0.00000000000000D+00
   3   8   2   8  0.37960727390954D-11  0.00000000000000D+00
   1   1   3   8  0.48370057546088D+00  0.00000000000000D+00
   2   1   3   8  0.48370056108603D+00  0.00000000000000D+00
   3   1   3   8  0.43514436359555D-07  0.00000000000000D+00
   1   2   3   8 -0.48370057547741D+00  0.00000000000000D+00
   2   2   3   8 -0.48370056107130D+00  0.00000000000000D+00
   3   2   3   8  0.43514926566861D-07  0.00000000000000D+00
   1   3   3   8  0.52762810696672D+00  0.00000000000000D+00
   2   3   3   8  0.52762809406750D+00  0.00000000000000D+00
   3   3   3   8 -0.67135866166532D-07  0.00000000000000D+00
   1   4   3   8 -0.52762810696669D+00  0.00000000000000D+00
   2   4   3   8 -0.52762809406752D+00  0.00000000000000D+00
   3   4   3   8 -0.67137321647929D-07  0.00000000000000D+00
   1   6   3   8 -0.24208467599299D-12  0.00000000000000D+00
   2   6   3   8 -0.14717649671030D-11  0.00000000000000D+00
   3   6   3   8 -0.10853746998494D-07  0.00000000000000D+00
   1   7   3   8  0.28439172369291D-07  0.00000000000000D+00
   2   7   3   8  0.42165770822540D-07  0.00000000000000D+00
   3   7   3   8  0.30088049363391D-07  0.00000000000000D+00
   1   8   3   8  0.45122781802332D-12  0.00000000000000D+00
   2   8   3   8  0.37961278094075D-11  0.00000000000000D+00
   3   8   3   8  0.14987595904009D+01  0.00000000000000D+00

 List of bloks and their characteristics 
  
 Total energy                 - # elements :       1
  
 1st derivatives              - # elements :      18
  
 2nd derivatives (non-stat.)  - # elements :     363
 qpt  0.00000000E+00  0.00000000E+00  0.00000000E+00   1.0
