{ "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" [ [ 1.713643 2.381995 2.341744 ] [ 1.446412 4.331189 1.115178 ] [ 2.556484 4.191275 3.378185 ] [ 3.693858 2.577115 3.453442 ] [ 3.860603 3.859948 1.679861 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.713643e-10 2.381995e-10 2.341744e-10 ] [ 1.446412e-10 4.331189e-10 1.115178e-10 ] [ 2.556484e-10 4.191275e-10 3.378185e-10 ] [ 3.693858e-10 2.577115e-10 3.453442e-10 ] [ 3.860603e-10 3.859948e-10 1.679861e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -17.7081242 -12.7298907 -8.0210468 ] [ -5.0326708 4.1019373 -8.5803869 ] [ -27.262895 40.8428248 22.089276 ] [ 33.9907263 -41.9743532 24.1283408 ] [ 16.0129637 9.7594818 -29.6161831 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.83715425914627e-08 -2.039553326487935e-08 -1.285113365730266e-08 ] [ -8.063227495942832e-09 6.572028042047477e-09 -1.374729528859859e-08 ] [ -4.367997298432522e-08 6.543741902199045e-08 3.539092157759854e-08 ] [ 5.445914700187169e-08 -6.725032737024168e-08 3.865786352845477e-08 ] [ 2.565559606985906e-08 1.56364135710831e-08 -4.745035616015207e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 4.6778934 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.494811440074623e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.3033189 2.1693692 2.6182465 ] [ 1.6340993 4.1526875 0.9606291 ] [ 2.3304759 4.5280751 3.5970892 ] [ 3.8361638 2.2540332 3.2250272 ] [ 4.166942 4.237357 1.5674179 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3033189e-10 2.1693692e-10 2.6182465e-10 ] [ 1.6340993e-10 4.1526875e-10 9.606291e-11 ] [ 2.3304759e-10 4.5280751e-10 3.5970892e-10 ] [ 3.8361638e-10 2.2540332e-10 3.2250272e-10 ] [ 4.166942e-10 4.237357000000001e-10 1.5674179e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.04e-05 -3.06e-05 -6.5e-06 ] [ -4.6e-06 -4.3e-06 2.6e-06 ] [ 1.5e-06 1.66e-05 2.15e-05 ] [ -9e-07 8.7e-06 5e-07 ] [ 3.45e-05 9.7e-06 -1.81e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.870616927232e-14 -4.902660459647999e-14 -1.04141480352e-14 ] [ -7.370012455680001e-15 -6.889359469440001e-15 4.16565921408e-15 ] [ 2.4032649312e-15 2.659613190528e-14 3.44467973472e-14 ] [ -1.44195895872e-15 1.393893660096e-14 8.010883104e-16 ] [ 5.52750934176e-14 1.554111322176e-14 -2.899939683648e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.98496 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.561072919642317e-18 } }