
 **** 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  0.00000000E+00  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 -0.96373350481746D-03 -0.43973522159784D-20
   2   1   1   1 -0.48186671518622D-03 -0.45228927268821D-19
   3   1   1   1 -0.48186724280262D-03 -0.64695271142722D-19
   1   2   1   1  0.42310051562796D-01 -0.21020462722105D-16
   2   2   1   1  0.21155039135382D-01 -0.11412824685884D-16
   3   2   1   1  0.21155053104838D-01 -0.55994368224825D-18
   1   1   2   1 -0.48186671518622D-03  0.41147951745228D-19
   2   1   2   1 -0.96373333531069D-03 -0.15605065178400D-20
   3   1   2   1 -0.48186668791719D-03  0.51657231344513D-20
   1   2   2   1  0.21155016535435D-01 -0.11054764048104D-16
   2   2   2   1  0.42310051096133D-01 -0.33692265244185D-16
   3   2   2   1  0.21155014937961D-01 -0.19792738923078D-16
   1   1   3   1 -0.48186724280262D-03  0.60124552593812D-19
   2   1   3   1 -0.48186668791719D-03 -0.79663292946667D-20
   3   1   3   1 -0.96373354216209D-03 -0.13259231650246D-20
   1   2   3   1  0.21155053503740D-01 -0.62776769483005D-17
   2   2   3   1  0.21155037087775D-01 -0.17276461781094D-16
   3   2   3   1  0.42310053568179D-01 -0.33685632121627D-16
   1   1   1   2  0.42310051562796D-01  0.22122763089406D-16
   2   1   1   2  0.21155016535435D-01  0.11767197700794D-16
   3   1   1   2  0.21155053503740D-01  0.71823693473334D-17
   1   2   1   2 -0.56275735648268D+01 -0.55384056584500D-16
   2   2   1   2 -0.28137869440474D+01  0.34075563720801D-15
   3   2   1   2 -0.28137867409458D+01 -0.18099320607591D-15
   1   1   2   2  0.21155039135382D-01  0.12133762091313D-16
   2   1   2   2  0.42310051096133D-01  0.34311702185931D-16
   3   1   2   2  0.21155037087775D-01  0.17894553494520D-16
   1   2   2   2 -0.28137869440474D+01 -0.41351712395336D-15
   2   2   2   2 -0.56275736990542D+01 -0.30787543285215D-16
   3   2   2   2 -0.28137868099196D+01 -0.32023097010486D-15
   1   1   3   2  0.21155053104838D-01  0.13530663996997D-17
   2   1   3   2  0.21155014937961D-01  0.19998045590553D-16
   3   1   3   2  0.42310053568179D-01  0.33938758552679D-16
   1   2   3   2 -0.28137867409458D+01  0.95678135186881D-16
   2   2   3   2 -0.28137868099196D+01  0.27737907699489D-15
   3   2   3   2 -0.56275735261226D+01 -0.32027473788543D-16
 Band:    2
   1   1   1   1 -0.12512555840400D+00 -0.11832776269565D-17
   2   1   1   1 -0.62717780813154D-01 -0.21370768438245D-17
   3   1   1   1 -0.15836734707984D+00 -0.14646486932006D-16
   1   2   1   1  0.59126546370015D+00 -0.54732274657755D-17
   2   2   1   1  0.23869956272849D+00  0.44918009127566D-16
   3   2   1   1  0.38342960212836D+00  0.15651560991585D-15
   1   1   2   1 -0.62717780813154D-01  0.16524217967623D-17
   2   1   2   1 -0.15147697789283D+00 -0.11205470410350D-17
   3   1   2   1 -0.19394140010954D+00 -0.14852924820668D-16
   1   2   2   1  0.23869949052193D+00  0.41858035603980D-17
   2   2   2   1  0.64212731346910D+00 -0.24374738732434D-16
   3   2   2   1  0.43725751785886D+00  0.93483052612794D-16
   1   1   3   1 -0.15836734707984D+00  0.80954456096154D-17
   2   1   3   1 -0.19394140010954D+00  0.11352555375875D-16
   3   1   3   1 -0.49294749275790D+00 -0.60071705866246D-17
   1   2   3   1  0.38342955304614D+00 -0.31136848423007D-17
   2   2   3   1  0.43725758390924D+00 -0.31940466589016D-16
   3   2   3   1  0.86592071188573D+00  0.13705041228486D-15
   1   1   1   2  0.59126546370015D+00  0.13101862614738D-17
   2   1   1   2  0.23869949052193D+00 -0.67082908383785D-17
   3   1   1   2  0.38342955304614D+00  0.23370610124785D-16
   1   2   1   2 -0.15881444406793D+02  0.99234886089406D-16
   2   2   1   2 -0.70254518036143D+01 -0.27014633545018D-15
   3   2   1   2 -0.97535540149621D+01 -0.29094161568335D-14
   1   1   2   2  0.23869956272849D+00 -0.44465686916287D-16
   2   1   2   2  0.64212731346910D+00  0.12760017818891D-16
   3   1   2   2  0.43725758390924D+00  0.20000888687867D-16
   1   2   2   2 -0.70254518036143D+01  0.27660554400815D-15
   2   2   2   2 -0.16809818745018D+02  0.11487238484514D-15
   3   2   2   2 -0.10768191936791D+02 -0.24881989971551D-14
   1   1   3   2  0.38342960212836D+00 -0.12970865329850D-15
   2   1   3   2  0.43725751785886D+00 -0.85825924400452D-16
   3   1   3   2  0.86592071188573D+00 -0.92592673747081D-16
   1   2   3   2 -0.97535540149621D+01  0.28815134224782D-14
   2   2   3   2 -0.10768191936791D+02  0.25198664157666D-14
   3   2   3   2 -0.21837215784724D+02 -0.19552068469788D-15
 Band:    3
   1   1   1   1 -0.12124176247508D+00 -0.64734735978215D-18
   2   1   1   1 -0.11305103542075D+00 -0.21402726095922D-16
   3   1   1   1 -0.52908790731624D-01 -0.21949868279312D-18
   1   2   1   1  0.63241864501715D+00 -0.97671046547454D-17
   2   2   1   1  0.36890216079639D+00  0.11777619824961D-15
   3   2   1   1  0.27789934228244D+00  0.35801687165385D-16
   1   1   2   1 -0.11305103542075D+00  0.20261983853822D-16
   2   1   2   1 -0.43638348223427D+00 -0.42514004305395D-17
   3   1   2   1 -0.11299764601984D+00  0.30269208493839D-16
   1   2   2   1  0.36890209888542D+00 -0.93081133204576D-16
   2   2   2   1  0.80537354076911D+00  0.10920253840892D-15
   3   2   2   1  0.36882132034929D+00 -0.45877553320583D-16
   1   1   3   1 -0.52908790731624D-01 -0.12831597893198D-18
   2   1   3   1 -0.11299764601984D+00 -0.29165956972232D-16
   3   1   3   1 -0.12121208305923D+00 -0.54808211905939D-19
   1   2   3   1  0.27789936124146D+00  0.17507497694728D-16
   2   2   3   1  0.36882144539055D+00  0.77242234788043D-16
   3   2   3   1  0.63234550587105D+00 -0.20760296118086D-16
   1   1   1   2  0.63241864501715D+00  0.96569945075055D-18
   2   1   1   2  0.36890209888542D+00  0.85078756348166D-16
   3   1   1   2  0.27789936124146D+00 -0.14918336350653D-16
   1   2   1   2 -0.16527269228960D+02  0.16344376866977D-15
   2   2   1   2 -0.93304543332042D+01 -0.22615108418079D-14
   3   2   1   2 -0.76150869246229D+01 -0.66899694495549D-16
   1   1   2   2  0.36890216079639D+00 -0.10270479957123D-15
   2   1   2   2  0.80537354076911D+00 -0.35769329720979D-16
   3   1   2   2  0.36882144539055D+00 -0.72760815074692D-16
   1   2   2   2 -0.93304543332042D+01  0.22222819005193D-14
   2   2   2   2 -0.20626760453797D+02 -0.36250770799130D-15
   3   2   2   2 -0.93289324958107D+01  0.16039144573967D-14
   1   1   3   2  0.27789934228244D+00 -0.37600689192402D-16
   2   1   3   2  0.36882132034929D+00  0.48186730570921D-16
   3   1   3   2  0.63234550587105D+00  0.18949025348224D-16
   1   2   3   2 -0.76150869246229D+01  0.53491771745444D-16
   2   2   3   2 -0.93289324958107D+01 -0.16777007944512D-14
   3   2   3   2 -0.16525968166700D+02  0.13027773039888D-15
 Band:    4
   1   1   1   1 -0.49293118758312D+00 -0.56348846136577D-17
   2   1   1   1 -0.19388049130992D+00  0.15880615616366D-16
   3   1   1   1 -0.15837312279566D+00  0.10415171092974D-16
   1   2   1   1  0.86589963332922D+00  0.87753738301179D-16
   2   2   1   1  0.43719033873503D+00 -0.58572226559420D-16
   3   2   1   1  0.38346318725322D+00 -0.42364969933661D-16
   1   1   2   1 -0.19388049130992D+00 -0.20284619909778D-16
   2   1   2   1 -0.15143809823117D+00 -0.11142478538753D-17
   3   1   2   1 -0.62710215089663D-01 -0.13598967143609D-17
   1   2   2   1  0.43719024922058D+00  0.82299620361914D-16
   2   2   2   1  0.64208304237925D+00  0.46752124144405D-17
   3   2   2   1  0.23871297002657D+00  0.53360809202143D-17
   1   1   3   1 -0.15837312279566D+00 -0.11949827289325D-16
   2   1   3   1 -0.62710215089663D-01 -0.83210233719772D-19
   3   1   3   1 -0.12513892659847D+00 -0.25178012998103D-18
   1   2   3   1  0.38346332307600D+00  0.12269522380396D-15
   2   2   3   1  0.23871302214213D+00  0.33514210171237D-16
   3   2   3   1  0.59131746080838D+00  0.43500199223773D-16
   1   1   1   2  0.86589963332922D+00 -0.11925734206418D-16
   2   1   1   2  0.43719024922058D+00 -0.66986442580749D-16
   3   1   1   2  0.38346332307600D+00 -0.11350826806209D-15
   1   2   1   2 -0.21836808769087D+02 -0.24934458269416D-15
   2   2   1   2 -0.10766855143216D+02  0.18172241078450D-14
   3   2   1   2 -0.97541202158546D+01  0.20862698629466D-14
   1   1   2   2  0.43719033873503D+00  0.68046991523618D-16
   2   1   2   2  0.64208304237925D+00 -0.98744660808099D-17
   3   1   2   2  0.23871302214213D+00 -0.27413197288287D-16
   1   2   2   2 -0.10766855143216D+02 -0.18323582969765D-14
   2   2   2   2 -0.16808944123384D+02  0.10414320379073D-15
   3   2   2   2 -0.70256369842723D+01  0.28937186577049D-15
   1   1   3   2  0.38346318725322D+00  0.42607221356576D-16
   2   1   3   2  0.23871297002657D+00 -0.24070277537191D-17
   3   1   3   2  0.59131746080838D+00 -0.44820710353653D-16
   1   2   3   2 -0.97541202158546D+01 -0.23079684549127D-14
   2   2   3   2 -0.70256369842723D+01 -0.39233388211627D-15
   3   2   3   2 -0.15882336707142D+02 -0.23303146928387D-16
 Band:    5
   1   1   1   1 -0.48358329916696D+00 -0.62585146890252D-17
   2   1   1   1 -0.24179162790012D+00  0.25921820422356D-16
   3   1   1   1 -0.24179166799734D+00  0.15577703523615D-16
   1   2   1   1 -0.14843201609200D+00 -0.13776796995956D-15
   2   2   1   1 -0.74215999645670D-01 -0.42327533393498D-16
   3   2   1   1 -0.74216003870516D-01 -0.53471426411098D-16
   1   1   2   1 -0.24179162790012D+00 -0.25553017810346D-16
   2   1   2   1 -0.48358328439935D+00 -0.78007379336196D-17
   3   1   2   1 -0.24179162977366D+00 -0.14537643017338D-16
   1   2   2   1 -0.74216005645866D-01 -0.50617812116468D-16
   2   2   2   1 -0.14843202215065D+00 -0.91840126332476D-16
   3   2   2   1 -0.74216007643370D-01 -0.91762487160182D-16
   1   1   3   1 -0.24179166799734D+00 -0.12709333981218D-16
   2   1   3   1 -0.24179162977366D+00  0.12513901808154D-16
   3   1   3   1 -0.48358328976907D+00 -0.87007323603635D-17
   1   2   3   1 -0.74216004763437D-01 -0.10684797520594D-15
   2   2   3   1 -0.74216001111383D-01 -0.58138505158575D-16
   3   2   3   1 -0.14843200258393D+00 -0.65614934111744D-16
   1   1   1   2 -0.14843201609200D+00  0.12945085749752D-15
   2   1   1   2 -0.74216005645866D-01  0.46119749529192D-16
   3   1   1   2 -0.74216004763437D-01  0.10265557653451D-15
   1   2   1   2 -0.50030533369261D+00 -0.27812914121330D-17
   2   2   1   2 -0.25015267066731D+00 -0.18029988810189D-16
   3   2   1   2 -0.25015265579910D+00  0.21983229714187D-16
   1   1   2   2 -0.74215999645670D-01  0.38300345024279D-16
   2   1   2   2 -0.14843202215065D+00  0.79494432529065D-16
   3   1   2   2 -0.74216001111383D-01  0.51279012321667D-16
   1   2   2   2 -0.25015267066731D+00  0.10362370293318D-16
   2   2   2   2 -0.50030533732524D+00 -0.41755299771901D-17
   3   2   2   2 -0.25015267234233D+00 -0.37494019289330D-16
   1   1   3   2 -0.74216003870516D-01  0.48003198424945D-16
   2   1   3   2 -0.74216007643370D-01  0.88297556614373D-16
   3   1   3   2 -0.14843200258393D+00  0.53545030596364D-16
   1   2   3   2 -0.25015265579910D+00 -0.35935366169819D-16
   2   2   3   2 -0.25015267234233D+00  0.25418287872944D-16
   3   2   3   2 -0.50030531281784D+00 -0.11031109422620D-16
 Band:    6
   1   1   1   1 -0.16009544091298D+01 -0.15160058047104D-15
   2   1   1   1 -0.14022700130710D+01 -0.35930290589580D-16
   3   1   1   1 -0.76035196206759D+00 -0.28197284768776D-15
   1   2   1   1  0.16322803088374D+01  0.68813062514058D-16
   2   2   1   1  0.14526281732822D+01  0.10138563509138D-15
   3   2   1   1  0.68625423526720D+00  0.19076047533960D-15
   1   1   2   1 -0.14022700130710D+01 -0.66556090286539D-16
   2   1   2   1 -0.29227161551118D+01 -0.18657674138509D-15
   3   1   2   1 -0.14490475856458D+01 -0.39812094356081D-15
   1   2   2   1  0.14526281143456D+01  0.55256856058624D-16
   2   2   2   1  0.30255017770128D+01  0.55804468152980D-15
   3   2   2   1  0.15084749920355D+01  0.28960241755082D-15
   1   1   3   1 -0.76035196206759D+00 -0.14288053509773D-15
   2   1   3   1 -0.14490475856458D+01  0.18063174138311D-15
   3   1   3   1 -0.57435474454221D+01 -0.85256157100570D-15
   1   2   3   1  0.68625384777228D+00  0.63310762958473D-16
   2   2   3   1  0.15084752335013D+01 -0.71917464735524D-16
   3   2   3   1  0.53823907061637D+01  0.82593885894363D-15
   1   1   1   2  0.16322803088374D+01  0.15900497191902D-15
   2   1   1   2  0.14526281143456D+01  0.20018988433645D-16
   3   1   1   2  0.68625384777228D+00  0.27541339807445D-15
   1   2   1   2 -0.27584549953185D+01 -0.50045962306675D-16
   2   2   1   2 -0.21198413399826D+01 -0.82382080342818D-16
   3   2   1   2 -0.13399175000712D+01 -0.16750923564901D-16
   1   1   2   2  0.14526281732822D+01 -0.30909396915612D-16
   2   1   2   2  0.30255017770128D+01  0.42680402025368D-16
   3   1   2   2  0.15084752335013D+01  0.34286133464511D-15
   1   2   2   2 -0.21198413399826D+01  0.70651997512326D-16
   2   2   2   2 -0.43856657614423D+01 -0.39409428127846D-15
   3   2   2   2 -0.21766758487678D+01 -0.23796530385273D-16
   1   1   3   2  0.68625423526720D+00  0.20243714215485D-15
   2   1   3   2  0.15084749920355D+01 -0.25772754865912D-15
   3   1   3   2  0.53823907061637D+01  0.97882870958717D-15
   1   2   3   2 -0.13399175000712D+01 -0.17743978374817D-15
   2   2   3   2 -0.21766758487678D+01 -0.17113996296808D-16
   3   2   3   2 -0.79293685142329D+01 -0.81718801929048D-15
 Band:    7
   1   1   1   1 -0.44444160820079D+01 -0.26523981769387D-15
   2   1   1   1 -0.30354498391791D+01 -0.92751804437218D-15
   3   1   1   1 -0.43684566094430D+01 -0.12691993827124D-14
   1   2   1   1  0.44002989629816D+01  0.63716643941441D-15
   2   2   1   1  0.27390946433379D+01  0.22670508607994D-15
   3   2   1   1  0.43305469524006D+01 -0.14271893709326D-15
   1   1   2   1 -0.30354498391791D+01 -0.16481514148115D-16
   2   1   2   1 -0.59334420614137D+01 -0.85907153536605D-15
   3   1   2   1 -0.30249070504122D+01 -0.12181572434853D-14
   1   2   2   1  0.27390947773344D+01  0.84171246861480D-15
   2   2   2   1  0.53511310839370D+01  0.42820431129928D-15
   3   2   2   1  0.27265080301035D+01 -0.77586497432820D-16
   1   1   3   1 -0.43684566094431D+01 -0.25027806594159D-15
   2   1   3   1 -0.30249070504122D+01 -0.85130244329472D-15
   3   1   3   1 -0.44341227021991D+01 -0.12586393700194D-14
   1   2   3   1  0.43305466711552D+01  0.64594915199092D-15
   2   2   3   1  0.27265077993816D+01  0.19550126580582D-15
   3   2   3   1  0.43879372931510D+01 -0.12765257677199D-15
   1   1   1   2  0.44002989629816D+01  0.53941218015169D-15
   2   1   1   2  0.27390947773344D+01  0.10468360287014D-14
   3   1   1   2  0.43305466711552D+01  0.14757198854175D-14
   1   2   1   2 -0.62854121004795D+01 -0.77127911148198D-15
   2   2   1   2 -0.41805362025801D+01  0.13969902640828D-15
   3   2   1   2 -0.58001257518307D+01  0.17358881462793D-17
   1   1   2   2  0.27390946433379D+01  0.65103367901505D-15
   2   1   2   2  0.53511310839370D+01  0.15367936078925D-14
   3   1   2   2  0.27265077993816D+01  0.16979806822675D-14
   1   2   2   2 -0.41805362025801D+01 -0.16186044439218D-14
   2   2   2   2 -0.81897978204088D+01 -0.95763862862078D-15
   3   2   2   2 -0.41677269104370D+01 -0.67068674921548D-15
   1   1   3   2  0.43305469524006D+01  0.31182062115289D-15
   2   1   3   2  0.27265080301035D+01  0.80437808856625D-15
   3   1   3   2  0.43879372931510D+01  0.12821287980218D-14
   1   2   3   2 -0.58001257518307D+01 -0.55711103946369D-15
   2   2   3   2 -0.41677269104370D+01  0.34158924997701D-15
   3   2   3   2 -0.62729148848557D+01  0.22994234012523D-15
 Band:    8
   1   1   1   1 -0.57437890392111D+01 -0.71694395300143D-15
   2   1   1   1 -0.14568601039724D+01 -0.15464180594604D-15
   3   1   1   1 -0.76577173526539D+00  0.15826436402937D-15
   1   2   1   1  0.53803233823349D+01  0.10956538395567D-14
   2   2   1   1  0.15147285158857D+01  0.29378411333229D-16
   3   2   1   1  0.68965034289387D+00  0.18482236409776D-15
   1   1   2   1 -0.14568601039724D+01 -0.53571354461306D-15
   2   1   2   1 -0.29330001090462D+01 -0.37253284584786D-15
   3   1   2   1 -0.14206252742952D+01 -0.16800321467594D-15
   1   2   2   1  0.15147283341532D+01  0.38786737150628D-16
   2   2   2   1  0.30362691440205D+01  0.39167152882130D-15
   3   2   2   1  0.14714684141784D+01  0.14023112191784D-15
   1   1   3   1 -0.76577173526539D+00 -0.18852176726001D-15
   2   1   3   1 -0.14206252742952D+01 -0.16166788468651D-15
   3   1   3   1 -0.16114872093320D+01 -0.23178274419627D-15
   1   2   3   1  0.68965141952971D+00 -0.15991640253132D-15
   2   2   3   1  0.14714685122174D+01  0.64516209956425D-16
   3   2   3   1  0.16425738840693D+01  0.17226741676043D-15
   1   1   1   2  0.53803233823349D+01  0.67907346727171D-15
   2   1   1   2  0.15147283341532D+01  0.37762890376973D-15
   3   1   1   2  0.68965141952972D+00  0.60904339046602D-16
   1   2   1   2 -0.79299311014885D+01 -0.97153468719396D-15
   2   2   1   2 -0.21865214802951D+01 -0.51371380271948D-15
   3   2   1   2 -0.13468563134473D+01 -0.69196248969739D-15
   1   1   2   2  0.15147285158857D+01  0.53814509827194D-15
   2   1   2   2  0.30362691440205D+01  0.44678068350974D-15
   3   1   2   2  0.14714685122174D+01  0.26113976794758D-15
   1   2   2   2 -0.21865214802951D+01  0.19029378003800D-15
   2   2   2   2 -0.43983348337425D+01 -0.51546215813196D-15
   3   2   2   2 -0.21424967715695D+01 -0.21071780903911D-15
   1   1   3   2  0.68965034289387D+00  0.25822871423121D-16
   2   1   3   2  0.14714684141784D+01  0.21924918444086D-15
   3   1   3   2  0.16425738840693D+01  0.28526845436218D-15
   1   2   3   2 -0.13468563134473D+01  0.52402297454607D-15
   2   2   3   2 -0.21424967715695D+01 -0.17369458786722D-15
   3   2   3   2 -0.27715162231532D+01 -0.26460920828209D-15
