{ "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" [ [ 2.6213483 2.3998189 3.9283693 ] [ 1.9453013 4.4681681 3.1347905 ] [ 3.0300698 3.8557905 1.1820616 ] [ 4.2114032 1.9930705 2.1598442 ] [ 4.9802841 2.5740155 4.3717761 ] [ 5.3890064 4.0299999 1.6254681 ] [ 5.5965059 4.7377845 3.8211052 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6213483e-10 2.3998189e-10 3.9283693e-10 ] [ 1.9453013e-10 4.4681681e-10 3.1347905e-10 ] [ 3.0300698e-10 3.8557905e-10 1.1820616e-10 ] [ 4.2114032e-10 1.9930705e-10 2.1598442e-10 ] [ 4.9802841e-10 2.5740155e-10 4.3717761e-10 ] [ 5.3890064e-10 4.0299999e-10 1.6254681e-10 ] [ 5.596505900000001e-10 4.7377845e-10 3.8211052e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.08e-05 2.87e-05 -4.88e-05 ] [ 3.85e-05 -2.36e-05 -9.5e-06 ] [ -2.65e-05 2.81e-05 1.8e-05 ] [ -3.1e-06 -6.3e-06 -7.4e-06 ] [ 2.9e-05 2.71e-05 1.03e-05 ] [ -3.18e-05 -5.72e-05 3.2e-06 ] [ -2.69e-05 3.3e-06 3.41e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.332527398719999e-14 4.598246939579999e-14 -7.818621973919999e-14 ] [ 6.168380040899999e-14 -3.78113685624e-14 -1.5220678023e-14 ] [ -4.2457680801e-14 4.50211634154e-14 2.8839179412e-14 ] [ -4.9667475654e-15 -1.00937127942e-14 -1.18561070916e-14 ] [ 4.6463122386e-14 4.34189867814e-14 1.65024193302e-14 ] [ -5.09492169612e-14 -9.164450346479999e-14 5.1269652288e-15 ] [ -4.309855145459999e-14 5.2871828922e-15 5.46342232194e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.063417005765544 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.054296129083579e-18 } }