{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.9136055 0.1992462 0.0711002 ] [ 0.7203108 0.3740979 2.589381 ] [ 1.027468 2.872573 2.429267 ] [ 2.566191 2.896163 0.5924317 ] [ 2.633567 2.125326 2.686178 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.136055e-11 1.992462e-11 7.11002e-12 ] [ 7.203108000000001e-11 3.740979e-11 2.589381e-10 ] [ 1.027468e-10 2.872573e-10 2.429267e-10 ] [ 2.566191e-10 2.896163e-10 5.924317e-11 ] [ 2.633567e-10 2.125326e-10 2.686178e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5305818 1.7058303 2.8473299 ] [ 1.1300405 1.7287663 -1.4610155 ] [ -12.8742947 4.3727182 -3.5132566 ] [ -0.8565108 0.2501794 -0.9399475 ] [ 12.0701832 -8.0574942 3.0668898 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.500857623856612e-10 2.73304144822921e-09 4.561925435069556e-09 ] [ 1.810524484573677e-09 2.769788971506634e-09 -2.340804896011827e-09 ] [ -2.062689414757004e-08 7.005866927106539e-09 -5.628857633766284e-09 ] [ -1.372281590528647e-09 4.008315889881396e-10 -1.505961921686715e-09 ] [ 1.933856549113935e-08 -1.290952893583052e-08 4.913699176612933e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.849711046368849 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.37227035414386e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.213581 0.5685837 0.2688176 ] [ 0.8100942 0.5783333 2.5643146 ] [ 0.7479563 2.9074087 2.3075038 ] [ 2.2754559 2.6238748 0.5523014 ] [ 2.814055 1.7892056 2.6754205 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.213581e-10 5.685837000000001e-11 2.688176e-11 ] [ 8.100942e-11 5.783333000000001e-11 2.5643146e-10 ] [ 7.479563e-11 2.9074087e-10 2.3075038e-10 ] [ 2.2754559e-10 2.6238748e-10 5.523014000000001e-11 ] [ 2.814055e-10 1.7892056e-10 2.6754205e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1e-07 2.26e-05 8.54e-05 ] [ 3.26e-05 2.45e-05 -3.57e-05 ] [ -1.4e-06 -3.52e-05 -6e-07 ] [ 2.64e-05 1.18e-05 -9e-06 ] [ -5.75e-05 -2.37e-05 -4.01e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.602176634e-16 3.62091919284e-14 1.368258845436e-13 ] [ 5.22309582684e-14 3.925332753299999e-14 -5.719770583379999e-14 ] [ -2.2430472876e-15 -5.63966175168e-14 -9.613059803999998e-16 ] [ 4.22974631376e-14 1.89056842812e-14 -1.4419589706e-14 ] [ -9.212515645499998e-14 -3.79715862258e-14 -6.42472830234e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.68810404636885 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.872640719885302e-18 } }