{ "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" [ [ 2.317023 1.146232 2.35214 ] [ 1.137751 1.512768 4.697187 ] [ 2.525224 3.828296 5.439775 ] [ 1.195151 3.273987 3.261847 ] [ 3.958209 2.788765 2.245111 ] [ 4.201729 2.884975 4.427405 ] [ 3.756146 4.818354 3.421856 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.317023e-10 1.146232e-10 2.35214e-10 ] [ 1.137751e-10 1.512768e-10 4.697187e-10 ] [ 2.525224e-10 3.828296e-10 5.439775e-10 ] [ 1.195151e-10 3.273987e-10 3.261847e-10 ] [ 3.958209e-10 2.788765e-10 2.245111e-10 ] [ 4.201729000000001e-10 2.884975e-10 4.427405e-10 ] [ 3.756146e-10 4.818354e-10 3.421856e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.4347214 0.9723381 0.9277797 ] [ 0.8151462 0.1479526 -0.0628977 ] [ -2.7396073 -0.5806867 0.2028799 ] [ 1.6536574 0.6419519 0.0423382 ] [ -0.7223244 -1.5436097 -2.5074173 ] [ 2.5247514 -2.9782884 2.5489493 ] [ -1.0969018 3.3403422 -1.1516322 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.965004636414451e-10 1.557857371333093e-09 1.486466944592838e-09 ] [ 1.306008184173961e-09 2.370461967065741e-10 -1.007732244420922e-10 ] [ -4.389334766233012e-09 -9.303626547495034e-10 3.25049432610242e-10 ] [ 2.649451225092914e-09 1.02852032585814e-09 6.783327420675456e-11 ] [ -1.157291266313388e-09 -2.473135372980102e-09 -4.01732537664946e-09 ] [ 4.04509766641207e-09 -4.771744044479838e-09 4.083866976064526e-09 ] [ -1.757430419273437e-09 5.351818178311638e-09 -1.84511818660047e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.3697 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.821626752550976e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2423771 1.5228439 2.4512791 ] [ 1.2783966 2.0581105 4.6175423 ] [ 2.8990693 3.4553938 5.3983094 ] [ 0.8756506 3.5395663 2.7085206 ] [ 4.1492165 2.7612123 2.5890118 ] [ 4.8008122 2.4023646 4.7362225 ] [ 2.8457106 4.5138857 3.3444352 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2423771e-10 1.5228439e-10 2.4512791e-10 ] [ 1.2783966e-10 2.0581105e-10 4.617542300000001e-10 ] [ 2.8990693e-10 3.4553938e-10 5.398309399999999e-10 ] [ 8.756505999999999e-11 3.5395663e-10 2.7085206e-10 ] [ 4.1492165e-10 2.7612123e-10 2.5890118e-10 ] [ 4.8008122e-10 2.4023646e-10 4.736222500000001e-10 ] [ 2.8457106e-10 4.513885700000001e-10 3.3444352e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.9e-06 -3.17e-05 1.03e-05 ] [ 2e-06 -2.1e-06 1.44e-05 ] [ -4.9e-06 -1.11e-05 -1.85e-05 ] [ -5.7e-06 6.2e-06 -1.31e-05 ] [ 3.9e-06 2.24e-05 8.8e-06 ] [ 3.5e-06 -1.8e-05 -3e-06 ] [ 5.2e-06 3.42e-05 1.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.24848882112e-15 -5.078899887936e-14 1.650241919424e-14 ] [ 3.2043532416e-15 -3.36457090368e-15 2.307134333952e-14 ] [ -7.850665441919999e-15 -1.778416049088e-14 -2.96402674848e-14 ] [ -9.13240673856e-15 9.93349504896e-15 -2.098851373248e-14 ] [ 6.24848882112e-15 3.588875630592e-14 1.409915426304e-14 ] [ 5.6076181728e-15 -2.88391791744e-14 -4.8065298624e-15 ] [ 8.33131842816e-15 5.479444043136e-14 1.76239428288e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.4213 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.310546970154304e-18 } }