{ "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" [ [ -0.1529068 -0.3147491 -0.442535 ] [ 0.7173605 0.2118278 0.3023684 ] [ -2.271342 -0.1036831 -0.4057691 ] [ -5.6413063 12.4523978 11.8974815 ] [ 6.9599346 2.2717891 -2.7854212 ] [ 6.744173 -11.2232106 -5.2066306 ] [ -6.355913 -3.2943717 -3.3594939 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.449837001213415e-10 -5.042836494378413e-10 -7.09019230885728e-10 ] [ 1.149338221785398e-09 3.393855487954982e-10 4.844475813487027e-10 ] [ -3.639091050241114e-09 -1.661186387920685e-10 -6.501137654630572e-10 ] [ -9.03836906463175e-09 1.995094062806136e-08 1.906186670570052e-08 ] [ 1.1151044498417e-08 3.639807383408273e-09 -4.462736725720681e-09 ] [ 1.08053563072306e-08 -1.798156563363474e-08 -8.341941820461878e-09 ] [ -1.018329521243879e-08 -5.278165317965152e-09 -5.382502584300213e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.157212 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.306929435730921e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9078586 1.6505906 3.943356 ] [ 0.9075747 5.7642376 4.0822236 ] [ 0.8290947 3.5684303 3.9424154 ] [ 5.5349841 4.0298428 1.3509265 ] [ 4.0139882 1.0754841 3.6442129 ] [ 4.1831628 5.3275617 0.1966805 ] [ 5.5824519 2.2358429 2.6246682 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9078586e-10 1.6505906e-10 3.943356e-10 ] [ 9.075747e-11 5.764237600000001e-10 4.0822236e-10 ] [ 8.290947e-11 3.5684303e-10 3.9424154e-10 ] [ 5.534984100000001e-10 4.0298428e-10 1.3509265e-10 ] [ 4.0139882e-10 1.0754841e-10 3.6442129e-10 ] [ 4.1831628e-10 5.3275617e-10 1.966805e-11 ] [ 5.5824519e-10 2.2358429e-10 2.6246682e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.3151483 -0.213705 0.0548914 ] [ -0.0896169 -0.1683091 -0.0196827 ] [ -0.1484916 0.311521 0.0724198 ] [ -0.0118279 0.1018476 -0.1447358 ] [ -0.298243 0.012176 0.040654 ] [ 0.1146562 0.0618813 -0.023381 ] [ 0.1183751 -0.1054117 0.0198342 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.049232383448646e-10 -3.42393154748064e-10 8.794571776298113e-11 ] [ -1.435821020085715e-10 -2.696609050878893e-10 -3.153516177422016e-11 ] [ -2.379097699051853e-10 4.991116630882368e-10 1.160293104430119e-10 ] [ -1.895038485316032e-11 1.631778436045901e-10 -2.318923149527846e-10 ] [ -4.778379619172544e-10 1.95081025348608e-11 6.51348883420032e-11 ] [ 1.83699483069769e-10 9.914477212471104e-11 -3.74604915709248e-11 ] [ 1.896578177048621e-10 -1.688881612987834e-10 3.177789153227136e-11 ] ] } "relaxed-potential-energy" { "source-value" -16.234897 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.601117241449606e-18 } }