{ "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" [ [ 1.222424 2.904477 0.9358623 ] [ 1.494107 1.000567 2.599919 ] [ 2.753047 4.765039 1.902757 ] [ 2.502796 3.18307 3.733295 ] [ 3.53967 2.110225 1.931082 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.222424e-10 2.904477e-10 9.358623e-11 ] [ 1.494107e-10 1.000567e-10 2.599919e-10 ] [ 2.753047e-10 4.765039e-10 1.902757e-10 ] [ 2.502796e-10 3.18307e-10 3.733295e-10 ] [ 3.53967e-10 2.110225e-10 1.931082e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.1252528 0.3083399 -0.2689802 ] [ -1.0680837 -0.3895089 0.4726614 ] [ -0.2595958 -0.413814 -0.3524755 ] [ -0.6848454 0.5275499 1.9285006 ] [ 1.8872721 -0.032567 -1.7797064 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.006771095030752e-10 4.940149831098965e-10 -4.309537914486468e-10 ] [ -1.711258747296266e-09 -6.240620583150425e-10 7.572870508737276e-10 ] [ -4.159183250445371e-10 -6.63003121622076e-10 -5.64728010157467e-10 ] [ -1.097243297782384e-09 8.452281230490365e-10 3.08979859997498e-09 ] [ 3.023743260620111e-09 -5.217808643947799e-11 -2.851404009460257e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.7412684 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.560723261600256e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.3187836 2.8082625 0.6758455 ] [ 1.3547132 1.3037986 2.7095656 ] [ 2.5686467 4.587158 1.9697124 ] [ 2.6045669 3.0826991 4.0034353 ] [ 3.6653336 2.1814598 1.7443564 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3187836e-10 2.8082625e-10 6.758455e-11 ] [ 1.3547132e-10 1.3037986e-10 2.7095656e-10 ] [ 2.5686467e-10 4.587158e-10 1.9697124e-10 ] [ 2.6045669e-10 3.0826991e-10 4.0034353e-10 ] [ 3.6653336e-10 2.1814598e-10 1.7443564e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.3e-06 -8e-07 1.9e-06 ] [ -2.2e-06 5.5e-06 4e-07 ] [ -3.8e-06 -3.4e-06 -4e-07 ] [ 1.4e-06 -3e-06 -1.5e-06 ] [ 1.3e-06 1.7e-06 -4e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.2871828922e-15 -1.2817413072e-15 3.0441356046e-15 ] [ -3.5247885948e-15 8.811971486999999e-15 6.408706536e-16 ] [ -6.088271209199999e-15 -5.4474005556e-15 -6.408706536e-16 ] [ 2.2430472876e-15 -4.806529901999999e-15 -2.403264951e-15 ] [ 2.0828296242e-15 2.7237002778e-15 -6.408706536e-16 ] ] } "relaxed-potential-energy" { "source-value" -10.344147 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.65731506220612e-18 } }