{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.883493 0.9166533 2.516283 ] [ 2.817177 3.567551 2.605543 ] [ 5.326989 2.981775 0.9718155 ] [ 4.378062 1.631795 2.957356 ] [ 3.2217 2.222093 1.004364 ] [ 4.317932 5.197679 1.168278 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.883493e-10 9.166533e-11 2.516283e-10 ] [ 2.817177e-10 3.567551e-10 2.605543e-10 ] [ 5.326989e-10 2.981775e-10 9.718155000000001e-11 ] [ 4.378062e-10 1.631795e-10 2.957356e-10 ] [ 3.2217e-10 2.222093e-10 1.004364e-10 ] [ 4.317932e-10 5.197679e-10 1.168278e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.447059 0.1637493 -0.0991081 ] [ -0.6787907 2.9638173 3.1288818 ] [ 1.3242693 1.3373411 -0.0969711 ] [ 0.1779063 -0.0751369 0.8280899 ] [ -1.534164 -3.3665322 -4.0494114 ] [ 0.26372 -1.0232386 0.2885188 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.162674779182272e-10 2.623553001323654e-10 -1.587886807519085e-10 ] [ -1.087542589956466e-09 4.74855878638258e-09 5.013021269206621e-09 ] [ 2.121713312103182e-09 2.142656644454955e-09 -1.553648293132589e-10 ] [ 2.85037314553031e-10 -1.203825845393875e-10 1.32674627770061e-09 ] [ -2.458001693273012e-09 -5.39377918401039e-09 -6.487872273080997e-09 ] [ 4.22526018437376e-10 -1.639408962420123e-09 4.622580760212711e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -13.628258 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.183487634983057e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.889013 0.9186752 2.5150593 ] [ 2.8087956 3.6041467 2.6441768 ] [ 5.3433404 2.9982878 0.9706182 ] [ 4.3802587 1.6308672 2.9675808 ] [ 3.202757 2.1805248 0.954364 ] [ 4.3211883 5.1850446 1.1718405 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.889013e-10 9.186752e-11 2.5150593e-10 ] [ 2.8087956e-10 3.6041467e-10 2.6441768e-10 ] [ 5.3433404e-10 2.9982878e-10 9.706182e-11 ] [ 4.3802587e-10 1.6308672e-10 2.9675808e-10 ] [ 3.202757e-10 2.1805248e-10 9.54364e-11 ] [ 4.3211883e-10 5.1850446e-10 1.1718405e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.4438332 0.1992181 -0.0722006 ] [ -0.019435 1.2635503 1.3814822 ] [ 0.574139 1.0038712 -0.0100995 ] [ -0.2354121 0.3398986 0.2797014 ] [ -0.947868 -1.7127388 -1.9160415 ] [ 0.1847428 -1.0937994 0.337158 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.110991765748506e-10 3.191825822601965e-10 -1.156781133277325e-10 ] [ -3.113830262524801e-11 2.024430749864826e-09 2.21337848289135e-09 ] [ 9.198720828894912e-10 1.608378966934441e-09 -1.61811827817696e-11 ] [ -3.771717628734317e-10 5.445775903626509e-10 4.481310438850291e-10 ] [ -1.518651949204455e-09 -2.744110062897047e-09 -3.069836895782563e-09 ] [ 2.959905950211303e-10 -1.752459826525068e-09 5.401866651156865e-10 ] ] } "relaxed-potential-energy" { "source-value" -14.132636 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.264297898947643e-18 } }