{ "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" [ [ 2.872342 2.592209 3.748836 ] [ 1.410068 4.838391 2.869154 ] [ 2.889421 3.430048 1.520903 ] [ 4.604684 2.417867 2.466033 ] [ 4.898299 2.012755 4.844446 ] [ 5.379024 4.52793 1.309626 ] [ 5.720081 4.239448 3.464417 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.872342e-10 2.592209e-10 3.748836e-10 ] [ 1.410068e-10 4.838391e-10 2.869154e-10 ] [ 2.889421e-10 3.430048e-10 1.520903e-10 ] [ 4.604684e-10 2.417867e-10 2.466033e-10 ] [ 4.898299e-10 2.012755e-10 4.844446e-10 ] [ 5.379024e-10 4.52793e-10 1.309626e-10 ] [ 5.720081000000001e-10 4.239448000000001e-10 3.464417e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.9790259 0.5071736 1.2219207 ] [ 1.0648035 -0.831858 -0.0273593 ] [ -0.476883 1.6626885 -0.7574999 ] [ 2.6237019 -1.8510828 -1.1312306 ] [ 0.1421139 0.9549955 -0.2073234 ] [ -1.4856346 -0.131816 -0.8603567 ] [ 0.110924 -0.3101007 1.7618493 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.17074905506082e-09 8.125816913016624e-10 1.957732794140923e-09 ] [ 1.706003287501419e-09 -1.332783450405972e-09 -4.38344311825962e-11 ] [ -7.640507997518218e-10 2.663920664320509e-09 -1.213648640037337e-09 ] [ 4.203633878761404e-09 -2.965761609759295e-09 -1.812431234985801e-09 ] [ 2.276915699466126e-10 1.530071475675147e-09 -3.321687071614355e-10 ] [ -2.380249042781936e-09 -2.11192515187344e-10 -1.378443401645348e-09 ] [ 1.77719840949816e-10 -4.968360957270438e-10 2.822793781089256e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.062578005765545 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.573508716263987e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6213499 2.3998212 3.9283654 ] [ 1.9453044 4.4681663 3.1347897 ] [ 3.0300677 3.8557927 1.1820631 ] [ 4.2114029 1.99307 2.1598436 ] [ 4.9802864 2.5740177 4.3717769 ] [ 5.3890038 4.0299953 1.6254683 ] [ 5.5965038 4.7377848 3.8211079 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6213499e-10 2.3998212e-10 3.9283654e-10 ] [ 1.9453044e-10 4.4681663e-10 3.1347897e-10 ] [ 3.0300677e-10 3.8557927e-10 1.1820631e-10 ] [ 4.211402900000001e-10 1.99307e-10 2.1598436e-10 ] [ 4.9802864e-10 2.5740177e-10 4.3717769e-10 ] [ 5.3890038e-10 4.0299953e-10 1.6254683e-10 ] [ 5.5965038e-10 4.7377848e-10 3.8211079e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.48e-05 -2.71e-05 1.19e-05 ] [ 3.9e-06 2.74e-05 1.25e-05 ] [ -4.9e-06 2.33e-05 -5.09e-05 ] [ -6.7e-06 -1.65e-05 -2.6e-06 ] [ 5.2e-06 -1.53e-05 2.08e-05 ] [ -5.1e-06 -1.49e-05 1.04e-05 ] [ -1.72e-05 2.3e-05 -2.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.97339805232e-14 -4.34189867814e-14 1.90659019446e-14 ] [ 6.248488872599999e-15 4.389963977159999e-14 2.0027207925e-14 ] [ -7.850665506599998e-15 3.733071557219999e-14 -8.155079067059998e-14 ] [ -1.07345834478e-14 -2.6435914461e-14 -4.165659248399999e-15 ] [ 8.331318496799998e-15 -2.45133025002e-14 3.332527398719999e-14 ] [ -8.1711008334e-15 -2.38724318466e-14 1.66626369936e-14 ] [ -2.75574381048e-14 3.6850062582e-14 -3.364570931399999e-15 ] ] } "relaxed-potential-energy" { "source-value" -19.063417005765544 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.054296129083579e-18 } }