{ "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" [ [ 2.668149 2.195644 2.177876 ] [ 2.423331 4.799117 4.063095 ] [ 0.9419081 3.216694 3.792355 ] [ 4.815194 2.852634 0.7483411 ] [ 3.230766 2.566095 4.274755 ] [ 3.707939 4.705402 1.628358 ] [ 5.171828 3.316404 3.099703 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.668149e-10 2.195644e-10 2.177876e-10 ] [ 2.423331e-10 4.799117e-10 4.063095e-10 ] [ 9.419081e-11 3.216694e-10 3.792355e-10 ] [ 4.815194e-10 2.852634e-10 7.483411e-11 ] [ 3.230766e-10 2.566095e-10 4.274755e-10 ] [ 3.707939e-10 4.705402000000001e-10 1.628358e-10 ] [ 5.171828e-10 3.316404e-10 3.099703e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.4503425 -0.222503 -2.5072396 ] [ 1.7319295 2.173278 -0.1575725 ] [ -1.7205207 -1.7703897 -0.5202795 ] [ -0.045502 -0.430621 0.2477259 ] [ 1.1416069 0.1681164 2.2645294 ] [ -0.3457172 -0.019737 1.0780603 ] [ -0.311454 0.1018564 -0.405224 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.215282248526241e-10 -3.564891046578624e-10 -4.017040669863944e-09 ] [ 2.774856953773834e-09 3.481975202098982e-09 -2.52458975581008e-10 ] [ -2.756578041142451e-09 -2.836476987045126e-09 -8.335796511815136e-10 ] [ -7.290224059964161e-11 -6.899308986255168e-10 3.969006453466387e-10 ] [ 1.829055885323963e-09 2.693521656530611e-10 3.628176061794252e-09 ] [ -5.539000152484378e-10 -3.16221599647296e-11 1.727243008472634e-09 ] [ -4.990043172546432e-10 1.631919427588531e-10 -6.492404189870592e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -18.42874 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.95260963788018e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6327278 2.2459018 2.0060299 ] [ 2.5227016 4.9277379 3.9196759 ] [ 1.0113015 3.0889315 3.6766911 ] [ 4.7128616 2.7713546 0.8155956 ] [ 3.3025319 2.6333519 4.3666357 ] [ 3.5750658 4.6919087 1.9093989 ] [ 5.2019247 3.2928037 3.090456 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6327278e-10 2.2459018e-10 2.0060299e-10 ] [ 2.5227016e-10 4.927737900000001e-10 3.9196759e-10 ] [ 1.0113015e-10 3.0889315e-10 3.676691100000001e-10 ] [ 4.7128616e-10 2.7713546e-10 8.155956e-11 ] [ 3.3025319e-10 2.6333519e-10 4.3666357e-10 ] [ 3.5750658e-10 4.691908700000001e-10 1.9093989e-10 ] [ 5.201924700000001e-10 3.2928037e-10 3.090456e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.4711736 -0.2870573 -0.1302833 ] [ -0.5649412 -0.0834873 0.9416093 ] [ 0.1675883 0.0485448 -0.4969369 ] [ -0.5519269 0.1677069 0.3518932 ] [ 0.3758402 0.1724404 0.0843931 ] [ 0.7780145 -0.1940784 -0.8575001 ] [ 0.2665987 0.1759308 0.1068247 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.549033262581709e-10 -4.599164948899718e-10 -2.087368573406726e-10 ] [ -9.05135582766697e-10 -1.337614001937158e-10 1.508624406387854e-09 ] [ 2.685060561796167e-10 7.777734362141185e-11 -7.961806831928275e-10 ] [ -8.842843755706195e-10 2.686960743268435e-10 5.637950580584986e-10 ] [ 6.021623815967961e-10 2.762799773614003e-10 1.352126517768365e-10 ] [ 1.246516642543402e-09 -3.109478750822708e-10 -1.373866612553662e-09 ] [ 4.27138204275673e-10 2.818722146386406e-10 1.711520368639737e-10 ] ] } "relaxed-potential-energy" { "source-value" -20.927398 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.352938780977668e-18 } }