{ "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" [ [ 2.819728 1.352428 1.364201 ] [ 2.130711 2.142985 3.535598 ] [ 2.900765 3.536828 2.247591 ] [ 4.867849 2.542824 1.805581 ] [ 4.180951 2.552465 4.619841 ] [ 3.604443 0.2919785 5.062878 ] [ 4.799237 0.5958561 3.34882 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.819728e-10 1.352428e-10 1.364201e-10 ] [ 2.130711e-10 2.142985e-10 3.535598e-10 ] [ 2.900765e-10 3.536828e-10 2.247591e-10 ] [ 4.867849e-10 2.542824e-10 1.805581e-10 ] [ 4.180951e-10 2.552465e-10 4.619841e-10 ] [ 3.604443e-10 2.919785e-11 5.062878e-10 ] [ 4.799237e-10 5.958561e-11 3.34882e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.9760644 -0.2804378 0.0950876 ] [ 2.0764397 -2.2381734 5.1826038 ] [ 4.1901535 3.417898 -3.014397 ] [ -4.1190522 -0.708603 0.3829492 ] [ -4.6533258 -3.8040934 -1.8855185 ] [ -0.6217956 1.8807772 1.3964583 ] [ 1.151516 1.7326324 -2.1571833 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.16600418287518e-09 -4.493108867485862e-10 1.523471296479821e-10 ] [ 3.326823141840966e-09 -3.585949094776447e-09 8.30344664322924e-09 ] [ 6.713365975263292e-09 5.476076267879079e-09 -4.829596399209658e-09 ] [ -6.599449134694805e-09 -1.135307160028743e-09 6.135522551940634e-10 ] [ -7.455449805725457e-09 -6.094829508819583e-09 -3.020933658785885e-09 ] [ -9.962263732363085e-10 3.013337258773686e-09 2.237372840182112e-09 ] [ 1.844932013677133e-09 2.775983123720594e-09 -3.456188650040192e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.5559947 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.370821467602871e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.8782142 1.0659225 -0.7153503 ] [ 2.4592359 3.7147784 4.5028983 ] [ 2.6558861 3.2015343 2.3682476 ] [ 3.7315178 1.5093096 1.4381399 ] [ 3.4161094 2.4553825 6.0396709 ] [ 4.532016 0.7200744 5.2606842 ] [ 4.6307046 0.3483628 3.0902194 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.8782142e-10 1.0659225e-10 -7.153503e-11 ] [ 2.4592359e-10 3.7147784e-10 4.5028983e-10 ] [ 2.6558861e-10 3.2015343e-10 2.3682476e-10 ] [ 3.7315178e-10 1.5093096e-10 1.4381399e-10 ] [ 3.4161094e-10 2.4553825e-10 6.0396709e-10 ] [ 4.532016e-10 7.200744e-11 5.2606842e-10 ] [ 4.6307046e-10 3.483628e-11 3.0902194e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9.41e-05 4.19e-05 -9.28e-05 ] [ -1e-05 2.36e-05 -8.85e-05 ] [ -3.76e-05 -8.81e-05 -5.39e-05 ] [ -0.0001304 0.0001134 0.0001046 ] [ 0.0001549 -8.26e-05 6.8e-05 ] [ -5.94e-05 9.9e-05 -6.67e-05 ] [ -1.18e-05 -0.0001072 0.0001294 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.5076482001728e-13 6.713120041152e-14 -1.4868199041024e-13 ] [ -1.6021766208e-14 3.781136825088e-14 -1.417926309408e-13 ] [ -6.024184094208e-14 -1.4115176029248e-13 -8.635731986112e-14 ] [ -2.0892383135232e-13 1.8168682879872e-13 1.6758767453568e-13 ] [ 2.4817715856192e-13 -1.3233978887808e-13 1.089480102144e-13 ] [ -9.516929127552e-14 1.586154854592e-13 -1.0686518060736e-13 ] [ -1.890568412544e-14 -1.7175333374976e-13 2.0732165473152e-13 ] ] } "relaxed-potential-energy" { "source-value" -17.170617 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.751036112211103e-18 } }