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Density functional repository
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DFT functional repository: x_pbe pointwise reference data
rhoa= 0.17E+01 rhob= 0.17E+01 sigmaaa= 0.81E-11 sigmaab= 0.81E-11 sigmabb= 0.81E-11
zk = -0.377592720836E+01
vrhoa = -0.148075576798E+01
vrhob = -0.148075576798E+01
vsigmaaa = -0.165665974842E-02
vsigmaab = 0.000000000000E+00
vsigmabb = -0.165665974842E-02
v2rhoa2 = -0.290344268232E+00
v2rhoab = 0.000000000000E+00
v2rhob2 = -0.290344268232E+00
v2rhoasigmaaa = 0.129934097915E-02
v2rhoasigmaab = 0.000000000000E+00
v2rhoasigmabb = 0.000000000000E+00
v2rhobsigmaaa = 0.000000000000E+00
v2rhobsigmaab = 0.000000000000E+00
v2rhobsigmabb = 0.129934097915E-02
v2sigmaaa2 = 0.361615443758E-05
v2sigmaaaab = 0.000000000000E+00
v2sigmaaabb = 0.000000000000E+00
v2sigmaab2 = 0.000000000000E+00
v2sigmaabbb = 0.000000000000E+00
v2sigmabb2 = 0.361615443758E-05
rhoa= 0.17E+01 rhob= 0.17E+01 sigmaaa= 0.17E+01 sigmaab= 0.17E+01 sigmabb= 0.17E+01
zk = -0.378154942017E+01
vrhoa = -0.147855914532E+01
vrhob = -0.147855914532E+01
vsigmaaa = -0.165052935245E-02
vsigmaab = 0.000000000000E+00
vsigmabb = -0.165052935245E-02
v2rhoa2 = -0.293340073168E+00
v2rhoab = 0.000000000000E+00
v2rhob2 = -0.293340073168E+00
v2rhoasigmaaa = 0.128494322308E-02
v2rhoasigmaab = 0.000000000000E+00
v2rhoasigmabb = 0.000000000000E+00
v2rhobsigmaaa = 0.000000000000E+00
v2rhobsigmaab = 0.000000000000E+00
v2rhobsigmabb = 0.128494322308E-02
v2sigmaaa2 = 0.359610088925E-05
v2sigmaaaab = 0.000000000000E+00
v2sigmaaabb = 0.000000000000E+00
v2sigmaab2 = 0.000000000000E+00
v2sigmaabbb = 0.000000000000E+00
v2sigmabb2 = 0.359610088925E-05
rhoa= 0.15E+01 rhob= 0.15E+01 sigmaaa= 0.36E+02 sigmaab= 0.36E+02 sigmabb= 0.36E+02
zk = -0.332917118617E+01
vrhoa = -0.136704102604E+01
vrhob = -0.136704102604E+01
vsigmaaa = -0.175922831660E-02
vsigmaab = 0.000000000000E+00
vsigmabb = -0.175922831660E-02
v2rhoa2 = -0.383048644703E+00
v2rhoab = 0.000000000000E+00
v2rhob2 = -0.383048644703E+00
v2rhoasigmaaa = 0.123846484420E-02
v2rhoasigmaab = 0.000000000000E+00
v2rhoasigmabb = 0.000000000000E+00
v2rhobsigmaaa = 0.000000000000E+00
v2rhobsigmaab = 0.000000000000E+00
v2rhobsigmabb = 0.123846484420E-02
v2sigmaaa2 = 0.508271342885E-05
v2sigmaaaab = 0.000000000000E+00
v2sigmaaabb = 0.000000000000E+00
v2sigmaab2 = 0.000000000000E+00
v2sigmaabbb = 0.000000000000E+00
v2sigmabb2 = 0.508271342885E-05
rhoa= 0.88E-01 rhob= 0.88E-01 sigmaaa= 0.87E-01 sigmaab= 0.87E-01 sigmabb= 0.87E-01
zk = -0.847500738867E-01
vrhoa = -0.498335317577E+00
vrhob = -0.498335317577E+00
vsigmaaa = -0.545109539268E-01
vsigmaab = 0.000000000000E+00
vsigmabb = -0.545109539268E-01
v2rhoa2 = -0.229469146464E+01
v2rhoab = 0.000000000000E+00
v2rhob2 = -0.229469146464E+01
v2rhoasigmaaa = 0.154401191219E+00
v2rhoasigmaab = 0.000000000000E+00
v2rhoasigmabb = 0.000000000000E+00
v2rhobsigmaaa = 0.000000000000E+00
v2rhobsigmaab = 0.000000000000E+00
v2rhobsigmabb = 0.154401191219E+00
v2sigmaaa2 = 0.254715375324E+00
v2sigmaaaab = 0.000000000000E+00
v2sigmaaabb = 0.000000000000E+00
v2sigmaab2 = 0.000000000000E+00
v2sigmaabbb = 0.000000000000E+00
v2sigmabb2 = 0.254715375324E+00
rhoa= 0.18E+04 rhob= 0.18E+04 sigmaaa= 0.55E+00 sigmaab= 0.55E+00 sigmabb= 0.55E+00
zk = -0.407494475322E+05
vrhoa = -0.150923879748E+02
vrhob = -0.150923879748E+02
vsigmaaa = -0.153509482897E-06
vsigmaab = 0.000000000000E+00
vsigmabb = -0.153509482897E-06
v2rhoa2 = -0.279488666208E-02
v2rhoab = 0.000000000000E+00
v2rhob2 = -0.279488666208E-02
v2rhoasigmaaa = 0.113710728070E-09
v2rhoasigmaab = 0.000000000000E+00
v2rhoasigmabb = 0.000000000000E+00
v2rhobsigmaaa = 0.000000000000E+00
v2rhobsigmaab = 0.000000000000E+00
v2rhobsigmabb = 0.113710728070E-09
v2sigmaaa2 = 0.287708461721E-17
v2sigmaaaab = 0.000000000000E+00
v2sigmaaabb = 0.000000000000E+00
v2sigmaab2 = 0.000000000000E+00
v2sigmaabbb = 0.000000000000E+00
v2sigmabb2 = 0.287708461721E-17
rhoa= 0.18E+04 rhob= 0.18E+04 sigmaaa= 0.86E+04 sigmaab= 0.86E+04 sigmabb= 0.86E+04
zk = -0.407494501724E+05
vrhoa = -0.150923869969E+02
vrhob = -0.150923869969E+02
vsigmaaa = -0.153509458156E-06
vsigmaab = 0.000000000000E+00
vsigmabb = -0.153509458156E-06
v2rhoa2 = -0.279488792967E-02
v2rhoab = 0.000000000000E+00
v2rhob2 = -0.279488792967E-02
v2rhoasigmaaa = 0.113710673089E-09
v2rhoasigmaab = 0.000000000000E+00
v2rhoasigmabb = 0.000000000000E+00
v2rhobsigmaaa = 0.000000000000E+00
v2rhobsigmaab = 0.000000000000E+00
v2rhobsigmabb = 0.113710673089E-09
v2sigmaaa2 = 0.287708392165E-17
v2sigmaaaab = 0.000000000000E+00
v2sigmaaabb = 0.000000000000E+00
v2sigmaab2 = 0.000000000000E+00
v2sigmaabbb = 0.000000000000E+00
v2sigmabb2 = 0.287708392165E-17
rhoa= 0.16E+04 rhob= 0.16E+04 sigmaaa= 0.37E+10 sigmaab= 0.37E+10 sigmabb= 0.37E+10
zk = -0.360960910073E+05
vrhoa = -0.140305340798E+02
vrhob = -0.140305340798E+02
vsigmaaa = -0.163703325386E-06
vsigmaab = 0.000000000000E+00
vsigmabb = -0.163703325386E-06
v2rhoa2 = -0.361179088671E-02
v2rhoab = 0.000000000000E+00
v2rhob2 = -0.361179088671E-02
v2rhoasigmaaa = 0.111691289742E-09
v2rhoasigmaab = 0.000000000000E+00
v2rhoasigmabb = 0.000000000000E+00
v2rhobsigmaaa = 0.000000000000E+00
v2rhobsigmaab = 0.000000000000E+00
v2rhobsigmabb = 0.111691289742E-09
v2sigmaaa2 = 0.400996995891E-17
v2sigmaaaab = 0.000000000000E+00
v2sigmaaabb = 0.000000000000E+00
v2sigmaab2 = 0.000000000000E+00
v2sigmaabbb = 0.000000000000E+00
v2sigmabb2 = 0.400996995891E-17
rhoa= 0.26E+00 rhob= 0.26E+00 sigmaaa= 0.28E+00 sigmaab= 0.28E+00 sigmabb= 0.28E+00
zk = -0.319679717401E+00
vrhoa = -0.766494428708E+00
vrhob = -0.766494428708E+00
vsigmaaa = -0.185240091115E-01
vsigmaab = 0.000000000000E+00
vsigmabb = -0.185240091115E-01
v2rhoa2 = -0.120781973536E+01
v2rhoab = 0.000000000000E+00
v2rhob2 = -0.120781973536E+01
v2rhoasigmaaa = 0.783950736036E-01
v2rhoasigmaab = 0.000000000000E+00
v2rhoasigmabb = 0.000000000000E+00
v2rhobsigmaaa = 0.000000000000E+00
v2rhobsigmaab = 0.000000000000E+00
v2rhobsigmabb = 0.783950736036E-01
v2sigmaaa2 = 0.578030314073E-02
v2sigmaaaab = 0.000000000000E+00
v2sigmaaabb = 0.000000000000E+00
v2sigmaab2 = 0.000000000000E+00
v2sigmaabbb = 0.000000000000E+00
v2sigmabb2 = 0.578030314073E-02
rhoa= 0.53E+05 rhob= 0.53E+05 sigmaaa= 0.96E+05 sigmaab= 0.96E+05 sigmabb= 0.96E+05
zk = -0.370503980175E+07
vrhoa = -0.466042742277E+02
vrhob = -0.466042742277E+02
vsigmaaa = -0.168835611841E-08
vsigmaab = 0.000000000000E+00
vsigmabb = -0.168835611841E-08
v2rhoa2 = -0.293108643147E-03
v2rhoab = 0.000000000000E+00
v2rhob2 = -0.293108643147E-03
v2rhoasigmaaa = 0.424743677402E-13
v2rhoasigmaab = 0.000000000000E+00
v2rhoasigmabb = 0.000000000000E+00
v2rhobsigmaaa = 0.000000000000E+00
v2rhobsigmaab = 0.000000000000E+00
v2rhobsigmabb = 0.424743677402E-13
v2sigmaaa2 = 0.382771132308E-23
v2sigmaaaab = 0.000000000000E+00
v2sigmaaabb = 0.000000000000E+00
v2sigmaab2 = 0.000000000000E+00
v2sigmaabbb = 0.000000000000E+00
v2sigmabb2 = 0.382771132308E-23
rhoa= 0.47E+05 rhob= 0.47E+05 sigmaaa= 0.29E+14 sigmaab= 0.29E+14 sigmabb= 0.29E+14
zk = -0.326657718168E+07
vrhoa = -0.433502031071E+02
vrhob = -0.433502031071E+02
vsigmaaa = -0.181368847096E-08
vsigmaab = 0.000000000000E+00
vsigmabb = -0.181368847096E-08
v2rhoa2 = -0.377435398713E-03
v2rhoab = 0.000000000000E+00
v2rhob2 = -0.377435398713E-03
v2rhoasigmaaa = 0.425352935840E-13
v2rhoasigmaab = 0.000000000000E+00
v2rhoasigmabb = 0.000000000000E+00
v2rhobsigmaaa = 0.000000000000E+00
v2rhobsigmaab = 0.000000000000E+00
v2rhobsigmabb = 0.425352935840E-13
v2sigmaaa2 = 0.541929951945E-23
v2sigmaaaab = 0.000000000000E+00
v2sigmaaabb = 0.000000000000E+00
v2sigmaab2 = 0.000000000000E+00
v2sigmaabbb = 0.000000000000E+00
v2sigmabb2 = 0.541929951945E-23
rhoa= 0.15E+00 rhob= 0.15E+00 sigmaaa= 0.16E+00 sigmaab= 0.16E+00 sigmabb= 0.16E+00
zk = -0.160448304498E+00
vrhoa = -0.616293740752E+00
vrhob = -0.616293740752E+00
vsigmaaa = -0.340347075448E-01
vsigmaab = 0.000000000000E+00
vsigmabb = -0.340347075448E-01
v2rhoa2 = -0.188013619179E+01
v2rhoab = 0.000000000000E+00
v2rhob2 = -0.188013619179E+01
v2rhoasigmaaa = 0.179505894965E+00
v2rhoasigmaab = 0.000000000000E+00
v2rhoasigmabb = 0.000000000000E+00
v2rhobsigmaaa = 0.000000000000E+00
v2rhobsigmaab = 0.000000000000E+00
v2rhobsigmabb = 0.179505894965E+00
v2sigmaaa2 = 0.432509198788E-01
v2sigmaaaab = 0.000000000000E+00
v2sigmaaabb = 0.000000000000E+00
v2sigmaab2 = 0.000000000000E+00
v2sigmaabbb = 0.000000000000E+00
v2sigmabb2 = 0.432509198788E-01
rhoa= 0.35E+01 rhob= 0.00E+00 sigmaaa= 0.46E-10 sigmaab= 0.00E+00 sigmabb= 0.00E+00
zk = -0.494484233083E+01
vrhoa = -0.188374945936E+01
vrhob = 0.000000000000E+00
vsigmaaa = -0.632520331341E-03
vsigmaab = 0.000000000000E+00
vsigmabb = 0.000000000000E+00
v2rhoa2 = -0.179404710416E+00
v2rhoab = 0.000000000000E+00
v2rhob2 = 0.000000000000E+00
v2rhoasigmaaa = 0.000000000000E+00
v2rhoasigmaab = 0.000000000000E+00
v2rhoasigmabb = 0.000000000000E+00
v2rhobsigmaaa = 0.000000000000E+00
v2rhobsigmaab = 0.000000000000E+00
v2rhobsigmabb = 0.000000000000E+00
v2sigmaaa2 = 0.201266029008E-06
v2sigmaaaab = 0.000000000000E+00
v2sigmaaabb = 0.000000000000E+00
v2sigmaab2 = 0.000000000000E+00
v2sigmaabbb = 0.000000000000E+00
v2sigmabb2 = 0.000000000000E+00
rhoa= 0.35E+01 rhob= 0.00E+00 sigmaaa= 0.34E+01 sigmaab= 0.00E+00 sigmabb= 0.00E+00
zk = -0.494699173727E+01
vrhoa = -0.188293152324E+01
vrhob = 0.000000000000E+00
vsigmaaa = -0.631836581688E-03
vsigmaab = 0.000000000000E+00
vsigmabb = 0.000000000000E+00
v2rhoa2 = -0.179948990030E+00
v2rhoab = 0.000000000000E+00
v2rhob2 = 0.000000000000E+00
v2rhoasigmaaa = 0.000000000000E+00
v2rhoasigmaab = 0.000000000000E+00
v2rhoasigmabb = 0.000000000000E+00
v2rhobsigmaaa = 0.000000000000E+00
v2rhobsigmaab = 0.000000000000E+00
v2rhobsigmabb = 0.000000000000E+00
v2sigmaaa2 = 0.200939766657E-06
v2sigmaaaab = 0.000000000000E+00
v2sigmaaabb = 0.000000000000E+00
v2sigmaab2 = 0.000000000000E+00
v2sigmaabbb = 0.000000000000E+00
v2sigmabb2 = 0.000000000000E+00
rhoa= 0.30E+01 rhob= 0.00E+00 sigmaaa= 0.20E+03 sigmaab= 0.00E+00 sigmabb= 0.00E+00
zk = -0.417440506676E+01
vrhoa = -0.172954529118E+01
vrhob = 0.000000000000E+00
vsigmaaa = -0.707320404038E-03
vsigmaab = 0.000000000000E+00
vsigmabb = 0.000000000000E+00
v2rhoa2 = -0.237820356120E+00
v2rhoab = 0.000000000000E+00
v2rhob2 = 0.000000000000E+00
v2rhoasigmaaa = 0.000000000000E+00
v2rhoasigmaab = 0.000000000000E+00
v2rhoasigmabb = 0.000000000000E+00
v2rhobsigmaaa = 0.000000000000E+00
v2rhobsigmaab = 0.000000000000E+00
v2rhobsigmabb = 0.000000000000E+00
v2sigmaaa2 = 0.323948969032E-06
v2sigmaaaab = 0.000000000000E+00
v2sigmaaabb = 0.000000000000E+00
v2sigmaab2 = 0.000000000000E+00
v2sigmaabbb = 0.000000000000E+00
v2sigmabb2 = 0.000000000000E+00
rhoa= 0.58E-01 rhob= 0.00E+00 sigmaaa= 0.47E-01 sigmaab= 0.00E+00 sigmabb= 0.00E+00
zk = -0.258503716227E-01
vrhoa = -0.433574571158E+00
vrhob = 0.000000000000E+00
vsigmaaa = -0.743604018862E-01
vsigmaab = 0.000000000000E+00
vsigmabb = 0.000000000000E+00
v2rhoa2 = -0.182332674956E+01
v2rhoab = 0.000000000000E+00
v2rhob2 = 0.000000000000E+00
v2rhoasigmaaa = 0.000000000000E+00
v2rhoasigmaab = 0.000000000000E+00
v2rhoasigmabb = 0.000000000000E+00
v2rhobsigmaaa = 0.000000000000E+00
v2rhobsigmaab = 0.000000000000E+00
v2rhobsigmabb = 0.000000000000E+00
v2sigmaaa2 = 0.934224897782E+00
v2sigmaaaab = 0.000000000000E+00
v2sigmaaabb = 0.000000000000E+00
v2sigmaab2 = 0.000000000000E+00
v2sigmaabbb = 0.000000000000E+00
v2sigmabb2 = 0.000000000000E+00
rhoa= 0.82E+02 rhob= 0.81E+02 sigmaaa= 0.49E+07 sigmaab= 0.49E+07 sigmabb= 0.49E+07
zk = -0.736865469611E+03
vrhoa = -0.493897932478E+01
vrhob = -0.491161504563E+01
vsigmaaa = -0.685185279408E-05
vsigmaab = 0.000000000000E+00
vsigmabb = -0.689688466662E-05
v2rhoa2 = -0.273332629968E-01
v2rhoab = 0.000000000000E+00
v2rhob2 = -0.273922219983E-01
v2rhoasigmaaa = 0.455358003173E-07
v2rhoasigmaab = 0.000000000000E+00
v2rhoasigmabb = 0.000000000000E+00
v2rhobsigmaaa = 0.000000000000E+00
v2rhobsigmaab = 0.000000000000E+00
v2rhobsigmabb = 0.445075229580E-07
v2sigmaaa2 = 0.413408272915E-12
v2sigmaaaab = 0.000000000000E+00
v2sigmaaabb = 0.000000000000E+00
v2sigmaab2 = 0.000000000000E+00
v2sigmaabbb = 0.000000000000E+00
v2sigmabb2 = 0.427862514991E-12
rhoa= 0.39E+02 rhob= 0.38E+02 sigmaaa= 0.81E+06 sigmaab= 0.82E+06 sigmabb= 0.82E+06
zk = -0.276589791995E+03
vrhoa = -0.382556082420E+01
vrhob = -0.378108116179E+01
vsigmaaa = -0.174145337536E-04
vsigmaab = 0.000000000000E+00
vsigmabb = -0.175120610339E-04
v2rhoa2 = -0.429564214817E-01
v2rhoab = 0.000000000000E+00
v2rhob2 = -0.424802511645E-01
v2rhoasigmaaa = 0.185237729809E-06
v2rhoasigmaab = 0.000000000000E+00
v2rhoasigmabb = 0.000000000000E+00
v2rhobsigmaaa = 0.000000000000E+00
v2rhobsigmaab = 0.000000000000E+00
v2rhobsigmabb = 0.161839553501E-06
v2sigmaaa2 = 0.740514207206E-11
v2sigmaaaab = 0.000000000000E+00
v2sigmaaabb = 0.000000000000E+00
v2sigmaab2 = 0.000000000000E+00
v2sigmaabbb = 0.000000000000E+00
v2sigmabb2 = 0.786563034093E-11
rhoa= 0.13E+00 rhob= 0.95E-01 sigmaaa= 0.15E+00 sigmaab= 0.18E+00 sigmabb= 0.22E+00
zk = -0.119421209325E+00
vrhoa = -0.578832621965E+00
vrhob = -0.517389121001E+00
vsigmaaa = -0.382340404759E-01
vsigmaab = 0.000000000000E+00
vsigmabb = -0.332973674309E-01
v2rhoa2 = -0.204167554105E+01
v2rhoab = 0.000000000000E+00
v2rhob2 = -0.722156009564E+00
v2rhoasigmaaa = 0.181184032538E+00
v2rhoasigmaab = 0.000000000000E+00
v2rhoasigmabb = 0.000000000000E+00
v2rhobsigmaaa = 0.000000000000E+00
v2rhobsigmaab = 0.000000000000E+00
v2rhobsigmabb = -0.177031055838E+00
v2sigmaaa2 = 0.685619910117E-01
v2sigmaaaab = 0.000000000000E+00
v2sigmaaabb = 0.000000000000E+00
v2sigmaab2 = 0.000000000000E+00
v2sigmaabbb = 0.000000000000E+00
v2sigmabb2 = 0.104342795817E+00
rhoa= 0.78E-01 rhob= 0.31E-01 sigmaaa= 0.41E-02 sigmaab= 0.38E-02 sigmabb= 0.36E-02
zk = -0.415413960050E-01
vrhoa = -0.523382772310E+00
vrhob = -0.357399049244E+00
vsigmaaa = -0.975929514687E-01
vsigmaab = 0.000000000000E+00
vsigmabb = -0.251904684435E+00
v2rhoa2 = -0.245525965200E+01
v2rhoab = 0.000000000000E+00
v2rhob2 = -0.524279284728E+01
v2rhoasigmaaa = 0.155938982496E+01
v2rhoasigmaab = 0.000000000000E+00
v2rhoasigmabb = 0.000000000000E+00
v2rhobsigmaaa = 0.000000000000E+00
v2rhobsigmaab = 0.000000000000E+00
v2rhobsigmabb = 0.452016269281E+01
v2sigmaaa2 = 0.776664232752E+00
v2sigmaaaab = 0.000000000000E+00
v2sigmaaabb = 0.000000000000E+00
v2sigmaab2 = 0.000000000000E+00
v2sigmaabbb = 0.000000000000E+00
v2sigmabb2 = 0.203904030316E+02
rhoa= 0.50E+02 rhob= 0.49E+02 sigmaaa= 0.11E+06 sigmaab= 0.11E+06 sigmabb= 0.11E+06
zk = -0.342262372442E+03
vrhoa = -0.451953851009E+01
vrhob = -0.448651692914E+01
vsigmaaa = -0.177274055848E-04
vsigmaab = 0.000000000000E+00
vsigmabb = -0.181825088154E-04
v2rhoa2 = -0.327443513253E-01
v2rhoab = 0.000000000000E+00
v2rhob2 = -0.333030095027E-01
v2rhoasigmaaa = 0.445584305337E-06
v2rhoasigmaab = 0.000000000000E+00
v2rhoasigmabb = 0.000000000000E+00
v2rhobsigmaaa = 0.000000000000E+00
v2rhobsigmaab = 0.000000000000E+00
v2rhobsigmabb = 0.464801667902E-06
v2sigmaaa2 = 0.462724606680E-11
v2sigmaaaab = 0.000000000000E+00
v2sigmaaabb = 0.000000000000E+00
v2sigmaab2 = 0.000000000000E+00
v2sigmaabbb = 0.000000000000E+00
v2sigmabb2 = 0.500476145449E-11
rhoa= 0.40E+02 rhob= 0.40E+02 sigmaaa= 0.99E+05 sigmaab= 0.98E+05 sigmabb= 0.98E+05
zk = -0.259316875633E+03
vrhoa = -0.416761407365E+01
vrhob = -0.416832346828E+01
vsigmaaa = -0.234431309174E-04
vsigmaab = 0.000000000000E+00
vsigmabb = -0.234541298631E-04
v2rhoa2 = -0.394086605352E-01
v2rhoab = 0.000000000000E+00
v2rhob2 = -0.393741681091E-01
v2rhoasigmaaa = 0.708870190119E-06
v2rhoasigmaab = 0.000000000000E+00
v2rhoasigmabb = 0.000000000000E+00
v2rhobsigmaaa = 0.000000000000E+00
v2rhobsigmaab = 0.000000000000E+00
v2rhobsigmabb = 0.709919266338E-06
v2sigmaaa2 = 0.109950768377E-10
v2sigmaaaab = 0.000000000000E+00
v2sigmaaabb = 0.000000000000E+00
v2sigmaab2 = 0.000000000000E+00
v2sigmaabbb = 0.000000000000E+00
v2sigmabb2 = 0.110028156783E-10
rhoa= 0.12E+00 rhob= 0.10E+00 sigmaaa= 0.12E+00 sigmaab= 0.13E+00 sigmabb= 0.14E+00
zk = -0.112021068338E+00
vrhoa = -0.563849973546E+00
vrhob = -0.518540640509E+00
vsigmaaa = -0.426508442574E-01
vsigmaab = 0.000000000000E+00
vsigmabb = -0.433850716387E-01
v2rhoa2 = -0.215582132758E+01
v2rhoab = 0.000000000000E+00
v2rhob2 = -0.193599570809E+01
v2rhoasigmaaa = 0.221089275399E+00
v2rhoasigmaab = 0.000000000000E+00
v2rhoasigmabb = 0.000000000000E+00
v2rhobsigmaaa = 0.000000000000E+00
v2rhobsigmaab = 0.000000000000E+00
v2rhobsigmabb = 0.555875642118E-01
v2sigmaaa2 = 0.948033727977E-01
v2sigmaaaab = 0.000000000000E+00
v2sigmaaabb = 0.000000000000E+00
v2sigmaab2 = 0.000000000000E+00
v2sigmaabbb = 0.000000000000E+00
v2sigmabb2 = 0.140057158296E+00
rhoa= 0.48E-01 rhob= 0.25E-01 sigmaaa= 0.46E-02 sigmaab= 0.44E-02 sigmabb= 0.41E-02
zk = -0.252665336863E-01
vrhoa = -0.430778167566E+00
vrhob = -0.326346959743E+00
vsigmaaa = -0.168954851377E+00
vsigmaab = 0.000000000000E+00
vsigmabb = -0.254284088546E+00
v2rhoa2 = -0.388578815717E+01
v2rhoab = 0.000000000000E+00
v2rhob2 = -0.420071526691E+01
v2rhoasigmaaa = 0.349932953984E+01
v2rhoasigmaab = 0.000000000000E+00
v2rhoasigmabb = 0.000000000000E+00
v2rhobsigmaaa = 0.000000000000E+00
v2rhobsigmaab = 0.000000000000E+00
v2rhobsigmabb = -0.344308375753E+00
v2sigmaaa2 = 0.467162912424E+01
v2sigmaaaab = 0.000000000000E+00
v2sigmaaabb = 0.000000000000E+00
v2sigmaab2 = 0.000000000000E+00
v2sigmaabbb = 0.000000000000E+00
v2sigmabb2 = 0.317975451941E+02