{ "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" [ [ 1.617948 3.024291 1.012928 ] [ 1.30973 1.622672 3.703727 ] [ 2.879916 3.04735 3.836046 ] [ 0.9226834 3.798669 3.025472 ] [ 3.183378 1.61886 2.358361 ] [ 3.567629 4.016165 2.010815 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.617948e-10 3.024291e-10 1.012928e-10 ] [ 1.30973e-10 1.622672e-10 3.703727e-10 ] [ 2.879916000000001e-10 3.04735e-10 3.836046e-10 ] [ 9.226834e-11 3.798669e-10 3.025472e-10 ] [ 3.183378e-10 1.61886e-10 2.358361e-10 ] [ 3.567629e-10 4.016165e-10 2.010815e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.0416526 0.0034149 -2.7356005 ] [ -4.8742855 -4.8126966 1.3239838 ] [ 4.5042569 6.281262 10.2670629 ] [ -3.1148471 1.801157 0.0436185 ] [ 1.7448855 -5.1519698 -5.7409595 ] [ 1.6983376 1.8788324 -3.1581052 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.673482191553408e-11 5.47127294236992e-12 -4.38291516494879e-09 ] [ -7.809466271204439e-09 -7.710789975523649e-09 2.121255890677943e-09 ] [ 7.216615099257083e-09 1.006369112551945e-08 1.644964814266305e-08 ] [ -4.99053520098668e-09 2.885771635790266e-09 6.98845409343648e-11 ] [ 2.795614754072919e-09 -8.25436556462765e-09 -9.198031091859657e-09 ] [ 2.721036796945582e-09 3.010221345681554e-09 -5.059842317466908e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.142146 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.265821568914024e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7807364 3.158239 0.9946885 ] [ 1.24446 1.4682424 3.8400221 ] [ 2.9678158 3.2846319 3.9700796 ] [ 0.7128094 3.6458691 3.0496463 ] [ 2.995171 1.5142714 2.2229722 ] [ 3.7802918 4.0567532 1.8699402 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7807364e-10 3.158239e-10 9.946885e-11 ] [ 1.24446e-10 1.4682424e-10 3.8400221e-10 ] [ 2.9678158e-10 3.2846319e-10 3.9700796e-10 ] [ 7.128094000000001e-11 3.6458691e-10 3.0496463e-10 ] [ 2.995171e-10 1.5142714e-10 2.2229722e-10 ] [ 3.7802918e-10 4.0567532e-10 1.8699402e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0387617 0.1134863 -0.0237732 ] [ 0.0803178 -0.0349311 0.0921395 ] [ -0.1417845 -0.0024111 -0.0052996 ] [ 0.013886 0.0318292 -0.004771 ] [ 0.0355191 -0.0060505 -0.0288279 ] [ -0.0267001 -0.1019228 -0.0294677 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.210308952246337e-11 1.81825096641095e-10 -3.808886524160256e-11 ] [ 1.286833013940902e-10 -5.596579175882688e-11 1.476237527522016e-10 ] [ -2.271638110918176e-10 -3.86300805041088e-12 -8.49089521959168e-12 ] [ 2.22478245564288e-11 5.099600009876736e-11 -7.6439846578368e-12 ] [ 5.690787161185728e-11 -9.693969644150402e-12 -4.618738740676032e-11 ] [ -4.277827599302209e-11 -1.632983272864742e-10 -4.721246000874816e-11 ] ] } "relaxed-potential-energy" { "source-value" -17.892141 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.866637000625713e-18 } }