{ "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" [ [ 2.851893 1.689536 1.360291 ] [ 1.367517 2.93292 5.4803 ] [ 1.756353 1.339195 3.328571 ] [ 1.204701 3.536746 3.011508 ] [ 3.888723 1.68848 3.240915 ] [ 3.83892 3.544284 1.733331 ] [ 3.269318 3.65155 3.991072 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.851893e-10 1.689536e-10 1.360291e-10 ] [ 1.367517e-10 2.93292e-10 5.4803e-10 ] [ 1.756353e-10 1.339195e-10 3.328571e-10 ] [ 1.204701e-10 3.536746e-10 3.011508e-10 ] [ 3.888723e-10 1.68848e-10 3.240915e-10 ] [ 3.83892e-10 3.544284e-10 1.733331e-10 ] [ 3.269318e-10 3.65155e-10 3.991072e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.5545115 -2.4563222 -4.7151588 ] [ 0.0843059 -0.0917053 -0.290691 ] [ -3.2740579 -2.4692924 1.4866636 ] [ -2.0794896 1.2698055 -0.2788683 ] [ 3.9104759 -2.2634 2.9929107 ] [ 1.6330265 3.5729075 -1.5811101 ] [ 1.2802509 2.4380069 2.3862539 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.490601982064739e-09 -3.935462001992022e-09 -7.554517192719383e-09 ] [ 1.350729419755027e-10 -1.469280876634503e-10 -4.657383240769728e-10 ] [ -5.245619022525544e-09 -3.956242553199122e-09 2.381897662914363e-09 ] [ -3.331709620316744e-09 2.034452685063255e-09 -4.467962705422407e-10 ] [ 6.265273063181839e-09 -3.62636656351872e-09 4.795171551682163e-09 ] [ 2.616396879446851e-09 5.724428864780975e-09 -2.533217637130751e-09 ] [ 2.051188060738159e-09 3.906117656529084e-09 3.823200209872821e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.781338 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.368231416774263e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.4601257 1.8762775 1.2245231 ] [ 1.4996414 3.1022014 4.6758142 ] [ 1.7018589 0.8475509 4.2144151 ] [ 0.8941604 4.0009406 2.6354902 ] [ 3.8365095 1.1672227 3.3908133 ] [ 3.1009245 4.0390852 1.9528636 ] [ 3.6842045 3.3494326 4.0520686 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.4601257e-10 1.8762775e-10 1.2245231e-10 ] [ 1.4996414e-10 3.1022014e-10 4.6758142e-10 ] [ 1.7018589e-10 8.475509000000001e-11 4.2144151e-10 ] [ 8.941604e-11 4.0009406e-10 2.6354902e-10 ] [ 3.8365095e-10 1.1672227e-10 3.3908133e-10 ] [ 3.1009245e-10 4.0390852e-10 1.9528636e-10 ] [ 3.6842045e-10 3.3494326e-10 4.0520686e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.6e-06 -6.5e-06 -2.81e-05 ] [ -3.7e-06 3.37e-05 -1.78e-05 ] [ -3e-07 -2.26e-05 -1.01e-05 ] [ 8.7e-06 -1.1e-05 2.95e-05 ] [ 1e-07 7.2e-06 7.9e-06 ] [ 5.7e-06 -1.58e-05 1.03e-05 ] [ -8.8e-06 1.5e-05 8.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.56348259328e-15 -1.04141480352e-14 -4.502116304448e-14 ] [ -5.928053496960001e-15 5.399335212096e-14 -2.851874385024e-14 ] [ -4.8065298624e-16 -3.620919163008e-14 -1.618198387008e-14 ] [ 1.393893660096e-14 -1.76239428288e-14 4.72642103136e-14 ] [ 1.6021766208e-16 1.153567166976e-14 1.265719530432e-14 ] [ 9.13240673856e-15 -2.531439060864e-14 1.650241919424e-14 ] [ -1.409915426304e-14 2.4032649312e-14 1.297763062848e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.636824 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.985948369876434e-18 } }