{ "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" [ [ 0.9163946 0.5446671 1.49786 ] [ 0.0084298 2.294234 2.779305 ] [ 1.912564 0.4098673 0.1717336 ] [ 2.851379 0.2549877 2.412214 ] [ 1.718971 2.318251 1.204915 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.163945999999999e-11 5.446671e-11 1.49786e-10 ] [ 8.4298e-13 2.294234e-10 2.779305e-10 ] [ 1.912564e-10 4.098673e-11 1.717336e-11 ] [ 2.851379e-10 2.549877e-11 2.412214e-10 ] [ 1.718971e-10 2.318251e-10 1.204915e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -12.8796619 -7.8763169 5.0199861 ] [ -2.6555844 1.9435151 2.5254329 ] [ 3.1923233 -5.0316352 -16.3244942 ] [ 9.3811655 -4.0302135 10.2284263 ] [ 2.9617575 14.9946505 -1.449351 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.063549335000004e-08 -1.261925089915931e-08 8.042904432424786e-09 ] [ -4.254715275294909e-09 3.113854481046173e-09 4.046189583114858e-09 ] [ 5.114665799433772e-09 -8.061568348251916e-09 -2.615472316910852e-08 ] [ 1.503028416378692e-08 -6.457113899731358e-09 1.638774562045107e-08 ] [ 4.745258662074254e-09 2.402407866609642e-08 -2.322116306664534e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.5921695 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.357466672267462e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.5520289 0.2306226 1.9567878 ] [ -0.1886825 2.437269 2.4924845 ] [ 1.9829038 0.4704594 -0.1347137 ] [ 3.0797018 0.2583358 2.2558897 ] [ 1.9817864 2.4253203 1.4955794 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.520289000000001e-11 2.306226e-11 1.9567878e-10 ] [ -1.886825e-11 2.437269e-10 2.4924845e-10 ] [ 1.9829038e-10 4.704594e-11 -1.347137e-11 ] [ 3.0797018e-10 2.583358e-11 2.2558897e-10 ] [ 1.9817864e-10 2.4253203e-10 1.4955794e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.63e-05 7.8e-06 3.92e-05 ] [ -1.96e-05 -9.6e-06 -1.3e-05 ] [ -3.4e-06 2.08e-05 -2.21e-05 ] [ -4.1e-05 -1.47e-05 3.7e-06 ] [ 1.77e-05 -4.3e-06 -7.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.41807781542e-14 1.24969777452e-14 6.280532405279998e-14 ] [ -3.140266202639999e-14 -1.53808956864e-14 -2.082829624199999e-14 ] [ -5.4474005556e-15 3.332527398719999e-14 -3.54081036114e-14 ] [ -6.568924199399999e-14 -2.35519965198e-14 5.9280535458e-15 ] [ 2.83585264218e-14 -6.8893595262e-15 -1.24969777452e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.499658 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.483318988259117e-18 } }