{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.930378 5.180054 2.851976 ] [ 5.738994 3.052967 1.218676 ] [ 3.217774 2.94037 2.40806 ] [ 5.439965 2.572298 3.526756 ] [ 4.050256 4.656384 1.057411 ] [ 5.133306 4.977378 3.451883 ] [ 3.497867 4.079859 4.731393 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.930378e-10 5.180054e-10 2.851976e-10 ] [ 5.738994e-10 3.052967000000001e-10 1.218676e-10 ] [ 3.217774e-10 2.94037e-10 2.40806e-10 ] [ 5.439965e-10 2.572298e-10 3.526756e-10 ] [ 4.050256e-10 4.656384e-10 1.057411e-10 ] [ 5.133306e-10 4.977378e-10 3.451883e-10 ] [ 3.497867e-10 4.079859e-10 4.731393e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.3773865 4.7693537 1.0511005 ] [ -0.59866 -1.1658356 -0.1046143 ] [ -1.0376284 -5.1882408 -0.7715553 ] [ -0.2552393 -0.2715202 1.0402439 ] [ 2.3943836 1.2107503 -4.301568 ] [ 5.3765085 3.7887968 0.1357442 ] [ -0.5019779 -3.1433042 2.9506492 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.61552293130554e-09 7.641346994465977e-09 1.68404864721119e-09 ] [ -9.59159055808128e-10 -1.867874542016341e-09 -1.676105856613574e-10 ] [ -1.662463963558111e-09 -8.312478112840689e-09 -1.23616786331433e-09 ] [ -4.089384391693575e-10 -4.350233165149402e-10 1.666654456509813e-09 ] [ 3.836225425146939e-09 1.939835824286586e-09 -6.891871682381414e-09 ] [ 8.614116220232476e-09 6.070321653921853e-09 2.174861836491994e-10 ] [ -8.042572555382803e-10 -5.036128501302448e-09 4.727461164422224e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.978155 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.200853286771863e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7063989 5.2872854 2.8924243 ] [ 5.486403 2.7801122 1.2561535 ] [ 3.3060702 2.9046402 2.3721926 ] [ 5.5199931 2.6866305 3.6785495 ] [ 4.2800814 4.868985 1.0127053 ] [ 5.1604115 5.127779 3.3296652 ] [ 3.5491818 3.8038776 4.7044646 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7063989e-10 5.2872854e-10 2.8924243e-10 ] [ 5.486403000000001e-10 2.7801122e-10 1.2561535e-10 ] [ 3.3060702e-10 2.9046402e-10 2.3721926e-10 ] [ 5.5199931e-10 2.6866305e-10 3.6785495e-10 ] [ 4.2800814e-10 4.868985000000001e-10 1.0127053e-10 ] [ 5.160411500000001e-10 5.127779e-10 3.3296652e-10 ] [ 3.5491818e-10 3.8038776e-10 4.7044646e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.04e-05 1.29e-05 4.87e-05 ] [ 4.72e-05 -3e-05 -3.85e-05 ] [ 0.0006085 0.0006847 0.0002537 ] [ -0.0001175 -2.64e-05 -0.0001071 ] [ 3.5e-06 -0.0001514 3.45e-05 ] [ -0.0006604 -0.0005626 -0.0001492 ] [ 9.82e-05 7.28e-05 -4.21e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.268440306432e-14 2.066807840832e-14 7.802600143296e-14 ] [ 7.562273650176e-14 -4.8065298624e-14 -6.16837999008e-14 ] [ 9.749244737568e-13 1.09701033226176e-12 4.0647220869696e-13 ] [ -1.88255752944e-13 -4.229746278912e-14 -1.7159311608768e-13 ] [ 5.6076181728e-15 -2.4256954038912e-13 5.52750934176e-14 ] [ -1.05807744037632e-12 -9.013845668620801e-13 -2.3904475182336e-13 ] [ 1.5733374416256e-13 1.1663845799424e-13 -6.745163573568001e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.385491 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.586551032532881e-18 } }