{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.504182 0.6046597 2.321872 ] [ 1.745959 3.100925 2.68757 ] [ 3.896834 1.31316 2.432517 ] [ 4.079685 3.860896 1.604541 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.504182e-10 6.046597e-11 2.321872e-10 ] [ 1.745959e-10 3.100925e-10 2.68757e-10 ] [ 3.896834e-10 1.31316e-10 2.432517e-10 ] [ 4.079685e-10 3.860896e-10 1.604541e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.9668814 -1.0702236 -0.1413091 ] [ -3.05073 3.5801689 0.4192477 ] [ 4.1773071 -2.3131075 -0.41331 ] [ -0.1596957 -0.1968378 0.1353715 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.549114774166373e-09 -1.714687230948411e-09 -2.264021363262893e-10 ] [ -4.887808282373185e-09 5.736062910095253e-09 6.717088632641722e-10 ] [ 6.692783773521847e-09 -3.706006757897136e-09 -6.62195619142848e-10 ] [ -2.558607169822906e-10 -3.153689212497062e-10 2.168890524226272e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -5.1625893 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.271379879252238e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.7465297 0.8904449 2.5447714 ] [ 1.4807535 3.3104121 2.4175118 ] [ 4.1325763 1.1294082 2.1057373 ] [ 3.8668005 3.5493755 1.9784795 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7465297e-10 8.904449e-11 2.5447714e-10 ] [ 1.4807535e-10 3.3104121e-10 2.417511800000001e-10 ] [ 4.1325763e-10 1.1294082e-10 2.1057373e-10 ] [ 3.8668005e-10 3.5493755e-10 1.9784795e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.7e-06 2.5e-06 -1.5e-06 ] [ 2.2e-06 -1.2e-06 7e-07 ] [ -1.3e-06 1.6e-06 1.1e-06 ] [ -2.6e-06 -2.9e-06 -3e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.72370025536e-15 4.005441552e-15 -2.4032649312e-15 ] [ 3.52478856576e-15 -1.92261194496e-15 1.12152363456e-15 ] [ -2.08282960704e-15 2.56348259328e-15 1.76239428288e-15 ] [ -4.16565921408e-15 -4.646312200320001e-15 -4.8065298624e-16 ] ] } "relaxed-potential-energy" { "source-value" -7.5906962 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.21616359872354e-18 } }