{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.697876 3.711698 1.143091 ] [ 3.423522 2.241155 2.183353 ] [ 3.951754 3.941629 0.5726112 ] [ 3.96365 5.193256 2.218192 ] [ 5.084028 3.36384 3.521791 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.697876e-10 3.711698e-10 1.143091e-10 ] [ 3.423522e-10 2.241155e-10 2.183353e-10 ] [ 3.951754000000001e-10 3.941629e-10 5.726112e-11 ] [ 3.96365e-10 5.193256e-10 2.218192e-10 ] [ 5.084028e-10 3.36384e-10 3.521791e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.2313891 0.0256697 0.5074475 ] [ 0.3560798 0.5111743 0.1107806 ] [ -0.4274579 -1.832563 -2.0699918 ] [ 0.3745893 0.6001116 2.7445305 ] [ -1.5346002 0.6956074 -1.2927668 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.972902827127953e-09 4.112739320294976e-11 8.130205207834081e-10 ] [ 5.705027306991399e-10 8.189915126138054e-10 1.774900873581965e-10 ] [ -6.848630537562643e-10 -2.93608959474311e-09 -3.31649246720771e-09 ] [ 6.001582188618375e-10 9.614847753908812e-10 4.397222602172535e-09 ] [ -2.458700562715004e-09 1.114485913535474e-09 -2.07124074310643e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.463656 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.157115487369365e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9915087 3.8962406 1.4736373 ] [ 3.2810163 2.0300222 2.1276263 ] [ 4.2905886 3.7079312 0.6639136 ] [ 3.6341018 5.3418002 2.3599576 ] [ 4.9236145 3.4755838 3.0139035 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9915087e-10 3.8962406e-10 1.4736373e-10 ] [ 3.2810163e-10 2.0300222e-10 2.1276263e-10 ] [ 4.290588600000001e-10 3.7079312e-10 6.639136e-11 ] [ 3.6341018e-10 5.3418002e-10 2.3599576e-10 ] [ 4.9236145e-10 3.4755838e-10 3.0139035e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.21e-05 1.61e-05 1.22e-05 ] [ -8.5e-06 -5.76e-05 -1.29e-05 ] [ 3.86e-05 -5.5e-06 2.02e-05 ] [ -1.56e-05 5.95e-05 -1.5e-05 ] [ 2.76e-05 -1.24e-05 -4.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.745163573568001e-14 2.579504359488e-14 1.954655477376e-14 ] [ -1.36185012768e-14 -9.228537335808e-14 -2.066807840832e-14 ] [ 6.184401756288e-14 -8.8119714144e-15 3.236396774016e-14 ] [ -2.499395528448e-14 9.532950893760001e-14 -2.4032649312e-14 ] [ 4.422007473408001e-14 -1.986699009792e-14 -7.2097947936e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.50509 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.323971608059987e-18 } }