{ "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" [ [ 2.723222 4.526694 1.360574 ] [ 2.417536 3.174257 3.140142 ] [ 3.174903 0.8317717 2.605725 ] [ 4.479997 2.361559 1.640517 ] [ 3.774403 1.830324 4.619346 ] [ 4.138625 4.139223 3.615344 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.723222e-10 4.526694e-10 1.360574e-10 ] [ 2.417536e-10 3.174257e-10 3.140142e-10 ] [ 3.174903e-10 8.317717e-11 2.605725e-10 ] [ 4.479997e-10 2.361559e-10 1.640517e-10 ] [ 3.774403e-10 1.830324e-10 4.619346e-10 ] [ 4.138625e-10 4.139223000000001e-10 3.615344e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.8108836 3.2382364 -5.1698732 ] [ -6.0171448 -1.2760435 4.5513705 ] [ -2.5305054 -1.9689347 -1.421613 ] [ 5.9246883 -0.3234819 -5.1920337 ] [ 1.1211349 -3.6821616 6.6273216 ] [ 2.3127105 4.0123853 0.6048278 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.299178756813802e-09 5.188226695448277e-09 -8.283050041782807e-09 ] [ -9.640528801954602e-09 -2.044447079667579e-09 7.292099467776897e-09 ] [ -4.054316624090823e-09 -3.154581170211799e-09 -2.277675131190642e-09 ] [ 9.49239715799318e-09 -5.182751417019245e-10 -8.318555077080564e-09 ] [ 1.796256140341926e-09 -5.899473278132054e-09 1.061813981352349e-08 ] [ 3.705370724306457e-09 6.428549974265079e-09 9.690409687536251e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -6.9728899 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.11718012692346e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6433736 4.2180759 0.6974933 ] [ 1.9246829 3.4466687 3.1095268 ] [ 2.9711519 1.2109877 2.6755572 ] [ 4.6332034 2.7755352 1.6404259 ] [ 4.2595269 1.4031855 4.9630436 ] [ 4.2767474 3.8093757 3.8956013 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6433736e-10 4.2180759e-10 6.974933e-11 ] [ 1.9246829e-10 3.4466687e-10 3.1095268e-10 ] [ 2.9711519e-10 1.2109877e-10 2.6755572e-10 ] [ 4.6332034e-10 2.775535200000001e-10 1.6404259e-10 ] [ 4.2595269e-10 1.4031855e-10 4.9630436e-10 ] [ 4.2767474e-10 3.8093757e-10 3.8956013e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.4e-06 1.08e-05 1.9e-05 ] [ 4.84e-05 -2.8e-05 -3.43e-05 ] [ -1e-07 -2.45e-05 -3e-05 ] [ -7.1e-05 8e-07 3.54e-05 ] [ -9.4e-06 1.72e-05 1.15e-05 ] [ 2.87e-05 2.37e-05 -1.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.4474005556e-15 1.73035076472e-14 3.0441356046e-14 ] [ 7.754534908559998e-14 -4.486094575199999e-14 -5.49546585462e-14 ] [ -1.602176634e-16 -3.925332753299999e-14 -4.806529901999999e-14 ] [ -1.13754541014e-13 1.2817413072e-15 5.671705284359999e-14 ] [ -1.50604603596e-14 2.75574381048e-14 1.8425031291e-14 ] [ 4.598246939579999e-14 3.79715862258e-14 -2.403264951e-15 ] ] } "relaxed-potential-energy" { "source-value" -15.441499 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.474000889173436e-18 } }