{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.5485971 0.5343947 2.664941 ] [ 1.37313 2.35631 1.443365 ] [ 2.145447 0.6526892 0.5854964 ] [ 2.929696 0.0722677 2.986283 ] [ 2.995983 2.738917 0.2990299 ] [ 2.823077 2.78342 2.858653 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.485971e-11 5.343947e-11 2.664941e-10 ] [ 1.37313e-10 2.35631e-10 1.443365e-10 ] [ 2.145447e-10 6.526892e-11 5.854964e-11 ] [ 2.929696e-10 7.22677e-12 2.986283e-10 ] [ 2.995983e-10 2.738917e-10 2.990299e-11 ] [ 2.823077e-10 2.78342e-10 2.858653e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.8757806 -0.4506981 -0.755575 ] [ -12.5012478 2.3260551 2.3033919 ] [ 1.3049636 -5.7699178 0.1838189 ] [ -1.5467925 3.1413414 -1.7365604 ] [ 6.3728665 2.0412183 -1.2461554 ] [ 4.4944296 -1.2879988 1.2510801 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.0053318478305e-09 -7.220979648081953e-10 -1.21056461023455e-09 ] [ -2.00292071210039e-08 3.726751130616533e-09 3.690440681124864e-09 ] [ 2.090782188140522e-09 -9.244427479260685e-09 2.945103464675826e-10 ] [ -2.478234801146445e-09 5.032983790496847e-09 -2.782276496409693e-09 ] [ 1.021045779790136e-08 3.270392265153202e-09 -1.996561064212923e-09 ] [ 7.200870088277966e-09 -2.063601581980039e-09 2.004451303482383e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.191253 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.39521304017824e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.7844861 0.5900308 2.610795 ] [ 1.0038354 2.5365578 1.3676274 ] [ 1.9819196 0.4854761 0.622525 ] [ 3.0767361 0.3873488 2.6792166 ] [ 3.214214 2.4508808 0.6570878 ] [ 2.7547389 2.6877044 2.9005165 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.844861e-11 5.900308e-11 2.610795e-10 ] [ 1.0038354e-10 2.536557800000001e-10 1.3676274e-10 ] [ 1.9819196e-10 4.854761000000001e-11 6.22525e-11 ] [ 3.0767361e-10 3.873488e-11 2.6792166e-10 ] [ 3.214214e-10 2.4508808e-10 6.570878e-11 ] [ 2.7547389e-10 2.6877044e-10 2.9005165e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9.9e-06 -7.6e-06 -1.8e-06 ] [ 1.28e-05 4.2e-06 1.81e-05 ] [ -1.65e-05 3.5e-05 1.7e-06 ] [ 1.76e-05 1.3e-05 3e-06 ] [ 1.42e-05 -3.27e-05 1.67e-05 ] [ -3.81e-05 -1.19e-05 -3.77e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.58615486766e-14 -1.21765424184e-14 -2.8839179412e-15 ] [ 2.05078609152e-14 6.729141862799999e-15 2.899939707539999e-14 ] [ -2.6435914461e-14 5.607618218999999e-14 2.7237002778e-15 ] [ 2.81983087584e-14 2.082829624199999e-14 4.806529901999999e-15 ] [ 2.27509082028e-14 -5.23911759318e-14 2.67563497878e-14 ] [ -6.10429297554e-14 -1.90659019446e-14 -6.040205910179999e-14 ] ] } "relaxed-potential-energy" { "source-value" -26.007871 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.166920321628621e-18 } }