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

  Note : temporary (transfer) database                                                                                                                                                                                                                                   

    usepaw         0
     natom         2
      nkpt         1
    nsppol         1
      nsym         1
    ntypat         2
    occopt         1
     nband         8
     acell  0.77030079150000D+01  0.77030079150000D+01  0.77030079150000D+01
       amu  0.69410000000000D+01  0.18998403200000D+02
   dilatmx  0.10000000000000D+01
      ecut  0.50000000000000D+01
    ecutsm  0.00000000000000D+00
     intxc         0
      iscf         7
       ixc         1
       kpt  0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
    kptnrm  0.10000000000000D+01
     ngfft        12   12   12
    nspden         1
   nspinor         1
       occ  0.20000000000000D+01  0.20000000000000D+01  0.20000000000000D+01
            0.20000000000000D+01  0.00000000000000D+00  0.00000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00
     rprim  0.00000000000000D+00  0.50000000000000D+00  0.50000000000000D+00
            0.50000000000000D+00  0.00000000000000D+00  0.50000000000000D+00
            0.50000000000000D+00  0.50000000000000D+00  0.00000000000000D+00
     sciss  0.00000000000000D+00
    spinat  0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
    symafm         1
    symrel         1    0    0    0    1    0    0    0    1
     tnons  0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
    tolwfr  0.10000000000000D+01
   tphysel  0.00000000000000D+00
    tsmear  0.40000000000000D-01
     typat         1    2
       wtk  0.10000000000000D+01
      xred  0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.50000000000000D+00  0.50000000000000D+00  0.50000000000000D+00
     znucl  0.30000000000000D+01  0.90000000000000D+01
      zion  0.10000000000000D+01  0.70000000000000D+01
 
  Description of the potentials (KB energies)
  vrsio8 (for pseudopotentials)=100401
  usepaw =  0
  dimekb =  1       lmnmax=  1
  Atom type=    1   pspso=  0   nekb=   1
  iln lpsang iproj  ekb(:)
     1     0     1     1.2427973E+00
  Atom type=    2   pspso=  0   nekb=   1
  iln lpsang iproj  ekb(:)
     1     0     1     6.3102278E+00
 
 **** Database of total energy derivatives ****
 Number of data blocks=    1

 2nd eigenvalue derivatives   - # elements :      36
 qpt  5.00000000E-01  0.00000000E+00  0.00000000E+00 1.0
 K-point:  0.00000000E+00  0.00000000E+00  0.00000000E+00
 Band:    1
   1   1   1   1 -0.30311971862407D-02 -0.14613554312730D-19
   2   1   1   1 -0.77982491513370D-03  0.33947237399527D-18
   3   1   1   1 -0.77982476963078D-03  0.24044514480025D-18
   1   2   1   1  0.10149037129639D-06 -0.39681799512969D-16
   2   2   1   1 -0.20857838817926D-07  0.12576745200832D-16
   3   2   1   1 -0.30014010742785D-07 -0.32092384305571D-16
   1   1   2   1 -0.77982491513370D-03 -0.34156568055113D-18
   2   1   2   1 -0.15596506705143D-02 -0.16048818496467D-21
   3   1   2   1 -0.77982528525378D-03  0.28760299667303D-19
   1   2   2   1  0.27462519144871D-07  0.44994390158148D-17
   2   2   2   1 -0.86243765732568D-08 -0.75894152073985D-17
   3   2   2   1 -0.59412378861858D-08 -0.14853569763051D-16
   1   1   3   1 -0.77982476963078D-03 -0.24902038888568D-18
   2   1   3   1 -0.77982528525378D-03 -0.25540283048161D-19
   3   1   3   1 -0.15596506477033D-02 -0.52666003950915D-20
   1   2   3   1  0.64723381215601D-07 -0.11763593571468D-16
   2   2   3   1 -0.50490860175105D-08  0.17130394325271D-16
   3   2   3   1 -0.56513045839107D-09 -0.86736173798840D-17
   1   1   1   2  0.10149037129573D-06  0.38814437774981D-16
   2   1   1   2  0.27462519144858D-07 -0.55294310796761D-17
   3   1   1   2  0.64723381215838D-07  0.10679391398982D-16
   1   2   1   2 -0.26845695932030D+01 -0.17621091099527D-16
   2   2   1   2 -0.27078155381586D+01 -0.80480147269098D-16
   3   2   1   2 -0.27078229586729D+01  0.44180116210129D-15
   1   1   2   2 -0.20857838817780D-07 -0.10842021724855D-16
   2   1   2   2 -0.86243765727010D-08  0.57462715141732D-17
   3   1   2   2 -0.50490860171292D-08 -0.13769367590566D-16
   1   2   2   2 -0.27078155381586D+01  0.36904854934955D-16
   2   2   2   2 -0.54156430550893D+01 -0.14387556058274D-16
   3   2   2   2 -0.27078215944564D+01 -0.55281840221846D-16
   1   1   3   2 -0.30014010742657D-07  0.28622937353617D-16
   2   1   3   2 -0.59412378862404D-08  0.11817803680092D-16
   3   1   3   2 -0.56513045771754D-09  0.11058862159352D-16
   1   2   3   2 -0.27078229586729D+01 -0.47292951703377D-15
   2   2   3   2 -0.27078215944564D+01 -0.17102207318718D-16
   3   2   3   2 -0.54156430502606D+01 -0.58437770832391D-17
 Band:    2
   1   1   1   1 -0.13122375841382D+00 -0.15717056159870D-17
   2   1   1   1 -0.78296734064375D-01 -0.33137227570150D-17
   3   1   1   1 -0.14726014810276D+00 -0.22688120772161D-16
   1   2   1   1 -0.19858806234273D-06 -0.78062556418956D-16
   2   2   1   1 -0.47824784848066D-07 -0.56161672534749D-16
   3   2   1   1 -0.65554878724272D-07  0.22551405187698D-16
   1   1   2   1 -0.78296734064375D-01  0.29893823437008D-17
   2   1   2   1 -0.12446947273690D+00 -0.59500094077674D-18
   3   1   2   1 -0.17547711083325D+00 -0.18016188128849D-16
   1   2   2   1 -0.29043980229134D-06  0.78062556418956D-16
   2   2   2   1 -0.12424445448344D-06  0.15092094240998D-15
   3   2   2   1  0.79703511042197D-07  0.12316536679435D-15
   1   1   3   1 -0.14726014810276D+00  0.20691852712662D-16
   2   1   3   1 -0.17547711083325D+00  0.17778755860183D-16
   3   1   3   1 -0.48110703455723D+00  0.14177710263036D-18
   1   2   3   1 -0.67352263895823D-06 -0.27582103268031D-15
   2   2   3   1 -0.23313401829843D-06  0.18821749714348D-15
   3   2   3   1  0.43910795947802D-06 -0.55511151231258D-16
   1   1   1   2 -0.19858806235211D-06  0.98879238130678D-16
   2   1   1   2 -0.29043980228666D-06 -0.45102810375397D-16
   3   1   1   2 -0.67352263894884D-06  0.23592239273285D-15
   1   2   1   2 -0.18970620511440D+02  0.19504990395123D-16
   2   2   1   2 -0.86612582704166D+01  0.23296123172369D-15
   3   2   1   2 -0.76591895522514D+01  0.37256127108243D-15
   1   1   2   2 -0.47824784854507D-07  0.14094628242312D-16
   2   1   2   2 -0.12424445447592D-06 -0.17911019889461D-15
   3   1   2   2 -0.23313401829773D-06  0.50306980803327D-16
   1   2   2   2 -0.86612582704166D+01 -0.28282239691844D-15
   2   2   2   2 -0.15425929983457D+02  0.46920708516327D-16
   3   2   2   2 -0.97196731393063D+01 -0.92401136767522D-15
   1   1   3   2 -0.65554878736440D-07 -0.71991024253037D-16
   2   1   3   2  0.79703511038767D-07 -0.11449174941447D-15
   3   1   3   2  0.43910795947658D-06  0.45102810375397D-16
   1   2   3   2 -0.76591895522514D+01 -0.38624612893854D-15
   2   2   3   2 -0.97196731393063D+01  0.83033368608174D-15
   3   2   3   2 -0.23902439642451D+02 -0.40214509452282D-15
 Band:    3
   1   1   1   1 -0.10854009129653D+00 -0.13169221999969D-17
   2   1   1   1 -0.92884361575123D-01 -0.22942982149923D-16
   3   1   1   1 -0.50633459945668D-01 -0.13163121542952D-17
   1   2   1   1 -0.13191856529575D-06  0.23332030751888D-15
   2   2   1   1  0.12920311915577D-07 -0.99746599868666D-16
   3   2   1   1 -0.22730971385916D-07  0.19949319973733D-16
   1   1   2   1 -0.92884361575123D-01  0.21438868356920D-16
   2   1   2   1 -0.42857417270270D+00  0.26899582647979D-18
   3   1   2   1 -0.95171948987446D-01  0.27913147111671D-16
   1   2   2   1 -0.15246829170763D-06  0.29316826744008D-15
   2   2   2   1 -0.13646059101380D-06  0.44929338027799D-15
   3   2   2   1 -0.20302518405607D-06  0.74593109467003D-16
   1   1   3   1 -0.50633459945668D-01  0.30676871895930D-19
   2   1   3   1 -0.95171948987446D-01 -0.28549622888361D-16
   3   1   3   1 -0.90563077789060D-01 -0.59018297560014D-18
   1   2   3   1 -0.12376662606009D-06 -0.12143064331838D-16
   2   2   3   1 -0.45946856176009D-07  0.17173762412170D-15
   3   2   3   1 -0.76688523768325D-07 -0.56812193838240D-16
   1   1   1   2 -0.13191856529969D-06 -0.17433970933567D-15
   2   1   1   2 -0.15246829170022D-06 -0.18214596497756D-15
   3   1   1   2 -0.12376662606807D-06  0.43368086899420D-17
   1   2   1   2 -0.17762222051164D+02  0.29719598520489D-16
   2   2   1   2 -0.59480525126411D+01 -0.10413971569416D-14
   3   2   1   2 -0.76314707713234D+01  0.70803629644775D-15
   1   1   2   2  0.12920311922394D-07  0.19515639104739D-15
   2   1   2   2 -0.13646059100953D-06 -0.30531133177192D-15
   3   1   2   2 -0.45946856171050D-07 -0.14745149545803D-15
   1   2   2   2 -0.59480525126411D+01  0.10499498855973D-14
   2   2   2   2 -0.23207826565746D+02 -0.67939100701962D-15
   3   2   2   2 -0.81525122521362D+01  0.16633365069835D-15
   1   1   3   2 -0.22730971380981D-07 -0.51391182975813D-16
   2   1   3   2 -0.20302518404319D-06  0.49439619065339D-16
   3   1   3   2 -0.76688523765698D-07  0.10625181290358D-15
   1   2   3   2 -0.76314707713234D+01 -0.70380703612669D-15
   2   2   3   2 -0.81525122521362D+01 -0.38237026002750D-15
   3   2   3   2 -0.14581104083788D+02  0.39212265327505D-16
 Band:    4
   1   1   1   1 -0.44005832867258D+00 -0.24076001627030D-17
   2   1   1   1 -0.17466304117746D+00  0.72982714132225D-17
   3   1   1   1 -0.14795044826705D+00  0.32810379558809D-17
   1   2   1   1 -0.25037361996632D-05 -0.30878077872387D-15
   2   2   1   1 -0.12172588311641D-05  0.10495077029660D-15
   3   2   1   1 -0.18716131020739D-05  0.13964523981613D-15
   1   1   2   1 -0.17466304117746D+00 -0.97537380364321D-17
   2   1   2   1 -0.13864480743947D+00 -0.11398331706070D-17
   3   1   2   1 -0.75195075172181D-01 -0.16419102957308D-17
   1   2   2   1 -0.49531172149311D-06 -0.31225022567583D-16
   2   2   2   1 -0.25115561921791D-06  0.16956921977673D-15
   3   2   2   1 -0.32256307129940D-06  0.50306980803327D-16
   1   1   3   1 -0.14795044826705D+00 -0.64533641133473D-17
   2   1   3   1 -0.75195075172181D-01 -0.47472102149571D-18
   3   1   3   1 -0.12001811869324D+00 -0.10305094653344D-17
   1   2   3   1 -0.45630048548860D-06 -0.97144514654701D-16
   2   2   3   1 -0.18911374412566D-06  0.12967057982927D-15
   3   2   3   1 -0.26524084627901D-06  0.31225022567583D-16
   1   1   1   2 -0.25037361996696D-05 -0.12143064331838D-15
   2   1   1   2 -0.49531172150042D-06 -0.15265566588596D-15
   3   1   1   2 -0.45630048550907D-06 -0.20816681711722D-16
   1   2   1   2 -0.31223482421182D+02 -0.35683725254335D-15
   2   2   1   2 -0.15380158061143D+02  0.24758503288102D-14
   3   2   1   2 -0.14698809499747D+02  0.32755091567672D-14
   1   1   2   2 -0.12172588311397D-05  0.16479873021780D-16
   2   1   2   2 -0.25115561920388D-06 -0.97144514654701D-16
   3   1   2   2 -0.18911374412654D-06 -0.69388939039072D-17
   1   2   2   2 -0.15380158061143D+02 -0.19409401254644D-14
   2   2   2   2 -0.21345179957867D+02  0.27478692539290D-15
   3   2   2   2 -0.12117283789485D+02 -0.20908595539847D-16
   1   1   3   2 -0.18716131020530D-05 -0.13010426069826D-15
   2   1   3   2 -0.32256307129360D-06 -0.14831885719602D-15
   3   1   3   2 -0.26524084626691D-06  0.72858385991026D-16
   1   2   3   2 -0.14698809499747D+02 -0.32427997552817D-14
   2   2   3   2 -0.12117283789485D+02  0.91779683417936D-16
   3   2   3   2 -0.21495393206679D+02  0.11564144526631D-15
 Band:    5
   1   1   1   1 -0.32287700734957D+00 -0.39170675720281D-17
   2   1   1   1 -0.87592293068264D-01  0.22159200808979D-17
   3   1   1   1 -0.87592313842832D-01 -0.22889423446032D-17
   1   2   1   1 -0.41499103187040D-06 -0.38597597340484D-16
   2   2   1   1  0.15060025079397D-07 -0.51174342541316D-16
   3   2   1   1 -0.12524253501121D-07 -0.51174342541316D-16
   1   1   2   1 -0.87592293068264D-01 -0.26059504221725D-17
   2   1   2   1 -0.17518460054872D+00 -0.15144973912325D-17
   3   1   2   1 -0.87592298968816D-01 -0.10226313971804D-17
   1   2   2   1 -0.12727900676701D-06 -0.17780915628762D-16
   2   2   2   1  0.43407444581647D-07 -0.60715321659188D-16
   3   2   2   1  0.35685104581494D-07 -0.82399365108898D-17
   1   1   3   1 -0.87592313842832D-01  0.40326502428032D-19
   2   1   3   1 -0.87592298968816D-01  0.74726048971969D-19
   3   1   3   1 -0.17518461190302D+00 -0.28926923747189D-17
   1   2   3   1 -0.27993701965186D-06 -0.77628875549962D-16
   2   2   3   1  0.43264587667492D-07 -0.78929918156945D-16
   3   2   3   1  0.64611411538761D-08 -0.75894152073985D-16
   1   1   1   2 -0.41499103186941D-06  0.27755575615629D-16
   2   1   1   2 -0.12727900676552D-06  0.28189256484623D-16
   3   1   1   2 -0.27993701965027D-06  0.47271214720368D-16
   1   2   1   2 -0.34455536880564D+00 -0.34804120581536D-17
   2   2   1   2 -0.25450654284365D+00 -0.15553701223781D-16
   3   2   1   2 -0.25450703586014D+00  0.16988122568634D-17
   1   1   2   2  0.15060025082275D-07  0.45861751896137D-16
   2   1   2   2  0.43407444584250D-07  0.53776427755281D-16
   3   1   2   2  0.43264587668100D-07  0.75460471204991D-16
   1   2   2   2 -0.25450654284365D+00  0.75495442746929D-17
   2   2   2   2 -0.50901390999300D+00 -0.95385836028185D-18
   3   2   2   2 -0.25450695799303D+00 -0.26756925425177D-16
   1   1   3   2 -0.12524253494818D-07  0.50090140368830D-16
   2   1   3   2  0.35685104583956D-07  0.99746599868666D-17
   3   1   3   2  0.64611411573865D-08  0.72424705122032D-16
   1   2   3   2 -0.25450703586014D+00 -0.15386368376125D-16
   2   2   3   2 -0.25450695799303D+00  0.46153303283560D-17
   3   2   3   2 -0.50901388362751D+00 -0.44316598364222D-17
 Band:    6
   1   1   1   1 -0.63854601111838D+00 -0.10797261327549D-16
   2   1   1   1 -0.12728256914870D+00  0.40837311271702D-17
   3   1   1   1 -0.28302421832663D+00 -0.36622594440173D-17
   1   2   1   1 -0.15964953629907D-05  0.21705727493160D-15
   2   2   1   1 -0.10543918739303D-05  0.11709383462843D-16
   3   2   1   1 -0.11743864828732D-05 -0.45146178462296D-15
   1   1   2   1 -0.12728256914870D+00 -0.68213945522553D-17
   2   1   2   1 -0.25320323242210D+00  0.41288223967217D-18
   3   1   2   1 -0.12678275069689D+00  0.10698218029724D-16
   1   2   2   1 -0.61930071675075D-07 -0.29761349634727D-16
   2   2   2   1 -0.12679829338086D-06 -0.86844594016089D-16
   3   2   2   1  0.85136968793618D-06 -0.36646033430010D-16
   1   1   3   1 -0.28302421832663D+00 -0.10689621968798D-16
   2   1   3   1 -0.12678275069689D+00 -0.11229363935934D-16
   3   1   3   1 -0.40227852582310D+00 -0.64653478924716D-17
   1   2   3   1 -0.64000218311076D-06  0.19038590148845D-15
   2   2   3   1 -0.17052702544596D-06  0.74159428598009D-16
   3   2   3   1  0.76521159481074D-07  0.31485231088979D-15
   1   1   1   2 -0.15964953629768D-05 -0.27929047963227D-15
   2   1   1   2 -0.61930071674766D-07  0.50740661672322D-16
   3   1   1   2 -0.64000218310932D-06 -0.26454533008646D-15
   1   2   1   2 -0.19371469677318D+01  0.40671445015273D-17
   2   2   1   2 -0.68349457629513D+00  0.17215834803358D-15
   3   2   1   2 -0.11735890779141D+01  0.39550629181898D-15
   1   1   2   2 -0.10543918739260D-05  0.10842021724855D-16
   2   1   2   2 -0.12679829338145D-06  0.75460471204991D-16
   3   1   2   2 -0.17052702544791D-06 -0.10928757898654D-15
   1   2   2   2 -0.68349457629513D+00 -0.17706499813879D-15
   2   2   2   2 -0.13745556462607D+01 -0.39123161431921D-17
   3   2   2   2 -0.68415626034740D+00  0.28399881153125D-15
   1   1   3   2 -0.11743864828682D-05  0.35475095083726D-15
   2   1   3   2  0.85136968794189D-06  0.64184768611142D-16
   3   1   3   2  0.76521159490761D-07 -0.30617869350991D-15
   1   2   3   2 -0.11735890779141D+01 -0.32711818176409D-15
   2   2   3   2 -0.68415626034740D+00 -0.22687389709935D-15
   3   2   3   2 -0.22842648553916D+01  0.51113650645412D-16
 Band:    7
   1   1   1   1 -0.54370983693051D+00 -0.40400998313999D-17
   2   1   1   1 -0.18504035440844D+00 -0.28230847125822D-16
   3   1   1   1 -0.12296464101591D+00  0.25825968387335D-17
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   2   2   1   1 -0.59890949128793D-06 -0.39031278209478D-17
   3   2   1   1 -0.95063506085459D-06 -0.35995512126519D-15
   1   1   2   1 -0.18504035440844D+00  0.19568486019714D-16
   2   1   2   1 -0.37680227186668D+00 -0.11003179669238D-16
   3   1   2   1 -0.19179812510153D+00 -0.19464453168434D-17
   1   2   2   1  0.46458109012707D-06  0.11188966420050D-15
   2   2   2   1  0.13738299469609D-05 -0.22551405187698D-16
   3   2   2   1  0.69934658213395D-06 -0.69388939039072D-16
   1   1   3   1 -0.12296464101591D+00 -0.22046017685763D-19
   2   1   3   1 -0.19179812510153D+00 -0.72718572615170D-17
   3   1   3   1 -0.33763640743971D+00 -0.42175590241139D-17
   1   2   3   1  0.42253682590988D-06 -0.13877787807814D-15
   2   2   3   1  0.12534259447188D-05 -0.22204460492503D-15
   3   2   3   1  0.10535721736735D-05 -0.86736173798840D-16
   1   1   1   2 -0.13291295011251D-05 -0.19862583799934D-15
   2   1   1   2  0.46458109009787D-06 -0.12663481374631D-15
   3   1   1   2  0.42253682590019D-06  0.24806545706468D-15
   1   2   1   2 -0.19692039117929D+01 -0.15585088592124D-16
   2   2   1   2 -0.11425348804509D+01  0.34503906296994D-15
   3   2   1   2 -0.10010226085731D+01  0.53652607089388D-15
   1   1   2   2 -0.59890949128060D-06  0.29056618222612D-16
   2   1   2   2  0.13738299469200D-05 -0.15612511283791D-16
   3   1   2   2  0.12534259447136D-05  0.31918911957973D-15
   1   2   2   2 -0.11425348804509D+01 -0.32145570033725D-15
   2   2   2   2 -0.22911422792226D+01  0.38872472766758D-16
   3   2   2   2 -0.11646636246128D+01 -0.36671718380647D-15
   1   1   3   2 -0.95063506086172D-06  0.31918911957973D-15
   2   1   3   2  0.69934658211340D-06 -0.55511151231258D-16
   3   1   3   2  0.10535721736600D-05  0.31225022567583D-16
   1   2   3   2 -0.10010226085731D+01 -0.52558288498011D-15
   2   2   3   2 -0.11646636246128D+01  0.39414361929328D-15
   3   2   3   2 -0.18485078627240D+01 -0.91923257984038D-17
 Band:    8
   1   1   1   1 -0.78912209887024D+00 -0.10587964780238D-16
   2   1   1   1 -0.28025623207428D+00  0.24720501055662D-16
   3   1   1   1 -0.18659012389194D+00  0.14280932477316D-16
   1   2   1   1  0.41146239594420D-06  0.14398204850607D-15
   2   2   1   1  0.25402695778465D-06 -0.14918621893401D-15
   3   2   1   1  0.33832142104414D-06  0.93675067702748D-16
   1   1   2   1 -0.28025623207428D+00 -0.34207154259624D-16
   2   1   2   1 -0.55515314730685D+00 -0.56019318060051D-17
   3   1   2   1 -0.27399845397456D+00  0.25818159802352D-17
   1   2   2   1 -0.11438353936228D-05  0.40332320816461D-16
   2   2   2   1  0.14505692712719D-06 -0.52562121322097D-15
   3   2   2   1  0.49817841945271D-06 -0.69388939039072D-17
   1   1   3   1 -0.18659012389194D+00 -0.17044480038129D-16
   2   1   3   1 -0.27399845397456D+00 -0.70186440411247D-17
   3   1   3   1 -0.44524352292576D+00 -0.12477787929791D-17
   1   2   3   1 -0.16150967447288D-05 -0.12793585635329D-16
   2   2   3   1  0.39935758696053D-06 -0.25673907444457D-15
   3   2   3   1  0.51969736637179D-06 -0.34694469519536D-17
   1   1   1   2  0.41146239594990D-06 -0.11882855810441D-15
   2   1   1   2 -0.11438353936357D-05 -0.77195194680968D-16
   3   1   1   2 -0.16150967447457D-05 -0.45970172113385D-16
   1   2   1   2 -0.18070409821687D+01 -0.20177317420332D-16
   2   2   1   2 -0.11452664287514D+01 -0.32983087095212D-15
   3   2   1   2 -0.79667871550366D+00 -0.20481685475039D-15
   1   1   2   2  0.25402695776483D-06  0.17347234759768D-15
   2   1   2   2  0.14505692710823D-06  0.45102810375397D-15
   3   1   2   2  0.39935758694772D-06  0.26020852139652D-15
   1   2   2   2 -0.11452664287514D+01  0.25616129209542D-15
   2   2   2   2 -0.22768853278664D+01 -0.78781181156640D-16
   3   2   2   2 -0.11224705428365D+01 -0.25899279088919D-15
   1   1   3   2  0.33832142105690D-06 -0.97144514654701D-16
   2   1   3   2  0.49817841945293D-06 -0.22551405187698D-16
   3   1   3   2  0.51969736635862D-06  0.20816681711722D-16
   1   2   3   2 -0.79667871550366D+00  0.16845775373126D-15
   2   2   3   2 -0.11224705428365D+01  0.12656787167369D-15
   3   2   3   2 -0.18098081728009D+01 -0.42398154765475D-16
