{ "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" [ [ 2.384535 1.809355 2.901981 ] [ 1.948299 3.967012 2.633856 ] [ 1.645033 3.274995 4.707865 ] [ 4.440095 1.758867 2.666287 ] [ 3.649735 2.240012 5.07701 ] [ 4.164388 4.024114 1.736165 ] [ 3.303688 4.596831 4.046686 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.384535e-10 1.809355e-10 2.901981e-10 ] [ 1.948299e-10 3.967012e-10 2.633856000000001e-10 ] [ 1.645033e-10 3.274995e-10 4.707865e-10 ] [ 4.440095e-10 1.758867e-10 2.666287e-10 ] [ 3.649735e-10 2.240012e-10 5.07701e-10 ] [ 4.164388e-10 4.024114e-10 1.736165e-10 ] [ 3.303688e-10 4.596831e-10 4.046686e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.8828075 -7.7279412 -5.9435816 ] [ -5.566206 3.066133 -11.2569328 ] [ -9.4179534 -2.5401895 11.1058206 ] [ 0.5211986 -1.236353 -1.1367217 ] [ 4.4807565 -2.8987223 5.3242965 ] [ 2.7140294 0.080272 -2.9934776 ] [ 8.1509824 11.256801 4.9005968 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.414413548819955e-09 -1.238152681956592e-08 -9.522667561792333e-09 ] [ -8.918045193230602e-09 4.912486649336322e-09 -1.803559470266819e-08 ] [ -1.508922487758086e-08 -4.069832262832143e-09 1.779348626671586e-08 ] [ 8.350522185935122e-10 -1.980855887975802e-09 -1.821228947100758e-09 ] [ 7.17896336694362e-09 -4.644265137514738e-09 8.53046344478798e-09 ] [ 4.348354488669039e-09 1.28609922764448e-10 -4.796079865122397e-09 ] [ 1.305931354542524e-08 1.803538353578783e-08 7.85162168561517e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.9235293 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.269489350327438e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9573052 1.2122567 2.373841 ] [ 1.6224815 3.7551882 2.2266194 ] [ 1.6024051 3.2542408 4.6177334 ] [ 4.3548392 1.7979622 2.8409269 ] [ 3.8763132 2.5068573 5.107155 ] [ 4.0088101 4.1563413 2.1179171 ] [ 4.1136187 4.9883394 4.4856572 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9573052e-10 1.2122567e-10 2.373841e-10 ] [ 1.6224815e-10 3.7551882e-10 2.2266194e-10 ] [ 1.6024051e-10 3.2542408e-10 4.6177334e-10 ] [ 4.3548392e-10 1.7979622e-10 2.8409269e-10 ] [ 3.8763132e-10 2.5068573e-10 5.107155e-10 ] [ 4.0088101e-10 4.1563413e-10 2.1179171e-10 ] [ 4.1136187e-10 4.9883394e-10 4.4856572e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.5e-06 2.36e-05 -1.63e-05 ] [ 4.6e-06 -3.13e-05 1.28e-05 ] [ -2.4e-06 -6.8e-06 8.8e-06 ] [ -1.69e-05 -5.7e-06 4.8e-06 ] [ 3e-06 6.9e-05 -1.76e-05 ] [ 1.16e-05 6.6e-06 2.9e-06 ] [ -2.4e-06 -5.54e-05 4.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.005441585e-15 3.78113685624e-14 -2.61154791342e-14 ] [ 7.370012516399999e-15 -5.014812864419999e-14 2.05078609152e-14 ] [ -3.845223921599999e-15 -1.08948011112e-14 1.40991543792e-14 ] [ -2.70767851146e-14 -9.1324068138e-15 7.690447843199998e-15 ] [ 4.806529901999999e-15 1.10550187746e-13 -2.81983087584e-14 ] [ 1.85852489544e-14 1.05743657844e-14 4.6463122386e-15 ] [ -3.845223921599999e-15 -8.876058552359998e-14 7.370012516399999e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.714404 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.998378080803613e-18 } }