{ "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" [ [ -0.8108835 3.2382363 -5.1698731 ] [ -6.0171452 -1.2760435 4.5513705 ] [ -2.5305054 -1.9689348 -1.4216129 ] [ 5.9246884 -0.3234817 -5.1920337 ] [ 1.1211348 -3.6821618 6.6273216 ] [ 2.3127108 4.0123855 0.6048276 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.299178596596139e-09 5.188226535230613e-09 -8.283049881565145e-09 ] [ -9.640529442825255e-09 -2.044447079667579e-09 7.292099467776897e-09 ] [ -4.054316624090823e-09 -3.154581330429463e-09 -2.277674970972978e-09 ] [ 9.492397318210844e-09 -5.182748212665977e-10 -8.318555077080564e-09 ] [ 1.796255980124263e-09 -5.89947359856738e-09 1.061813981352349e-08 ] [ 3.705371204959447e-09 6.428550294700406e-09 9.690406483182984e-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" [ [ 2.6433735 4.2180759 0.6974932 ] [ 1.9246829 3.4466687 3.1095268 ] [ 2.9711519 1.2109877 2.6755571 ] [ 4.6332034 2.7755352 1.6404259 ] [ 4.2595269 1.4031854 4.9630437 ] [ 4.2767474 3.8093757 3.8956012 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6433735e-10 4.2180759e-10 6.974932e-11 ] [ 1.9246829e-10 3.4466687e-10 3.1095268e-10 ] [ 2.9711519e-10 1.2109877e-10 2.6755571e-10 ] [ 4.6332034e-10 2.775535200000001e-10 1.6404259e-10 ] [ 4.2595269e-10 1.4031854e-10 4.963043700000001e-10 ] [ 4.2767474e-10 3.8093757e-10 3.8956012e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.4e-06 1.08e-05 1.89e-05 ] [ 4.84e-05 -2.79e-05 -3.43e-05 ] [ -1e-07 -2.45e-05 -3e-05 ] [ -7.09e-05 8e-07 3.53e-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 3.02811383826e-14 ] [ 7.754534908559998e-14 -4.470072808859999e-14 -5.49546585462e-14 ] [ -1.602176634e-16 -3.925332753299999e-14 -4.806529901999999e-14 ] [ -1.135943233506e-13 1.2817413072e-15 5.655683518019999e-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 } }