{ "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" [ [ 2.4502141 1.2286012 -6.0050324 ] [ 3.4455477 4.2719019 -1.7586993 ] [ -2.8882325 -3.2585145 -2.2626871 ] [ -4.4181528 -3.0434009 1.9235203 ] [ 3.1749732 -0.7734125 4.0473854 ] [ -2.178255 1.5443103 3.082625 ] [ 0.4139053 0.0305146 0.9728881 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.925675779317339e-09 1.968436135144361e-09 -9.62112259769294e-09 ] [ 5.520376016272442e-09 6.844341406920203e-09 -2.817746924692156e-09 ] [ -4.627458625059405e-09 -5.220715793450192e-09 -3.625224401673221e-09 ] [ -7.078661181601674e-09 -4.87606580987457e-09 3.08181927968467e-09 ] [ 5.086867874616208e-09 -1.239143435943525e-09 6.484626316672742e-09 ] [ -3.489949263893669e-09 2.47425787830553e-09 4.93890974638425e-09 ] [ 6.631494003487601e-10 4.888977911585639e-11 1.558738581316655e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.536115 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.008507053413691e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4389085 1.7138317 2.4761266 ] [ 2.3495717 4.6606829 3.8689215 ] [ 0.6592068 3.2288786 2.9753617 ] [ 4.0561534 2.8372506 1.090703 ] [ 3.7863542 2.7017315 4.2848619 ] [ 3.9897653 5.0966369 2.1695588 ] [ 5.6791552 3.4129777 2.9189496 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4389085e-10 1.7138317e-10 2.4761266e-10 ] [ 2.3495717e-10 4.660682900000001e-10 3.8689215e-10 ] [ 6.592068e-11 3.2288786e-10 2.9753617e-10 ] [ 4.056153400000001e-10 2.8372506e-10 1.090703e-10 ] [ 3.7863542e-10 2.7017315e-10 4.2848619e-10 ] [ 3.989765300000001e-10 5.0966369e-10 2.1695588e-10 ] [ 5.6791552e-10 3.4129777e-10 2.9189496e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0063746 0.0305632 0.0542812 ] [ -0.020383 -0.0743648 0.0517986 ] [ 0.015369 0.0001332 -0.0169236 ] [ 0.1714478 0.0784321 0.1670299 ] [ -0.0187142 0.0214134 -0.0249279 ] [ -0.1240935 0.1727451 -0.1335475 ] [ -0.0172515 -0.2289222 -0.0977109 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.02132351710964e-11 4.89676449002688e-11 8.69680703054808e-11 ] [ -3.265716633082199e-11 -1.191455449520832e-10 8.29905065939124e-11 ] [ 2.4623852687946e-11 2.134099276488e-13 -2.71145964831624e-11 ] [ 2.746896591107051e-10 1.256620779755514e-10 2.676114029593566e-10 ] [ -2.99834539640028e-11 3.430804913449559e-11 -3.993889891468859e-11 ] [ -1.98819706131279e-10 2.767681628579934e-10 -2.13966684029115e-10 ] [ -2.7639950201451e-11 -3.667737998438747e-10 -1.565501208671106e-10 ] ] } "relaxed-potential-energy" { "source-value" -18.060248 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.893570734984523e-18 } }