{ "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" [ [ 0.7481215 0.3697243 2.264709 ] [ 0.2413431 2.204484 1.035234 ] [ 2.632044 0.6504598 2.339521 ] [ 2.588426 1.874203 0.0457334 ] [ 2.842468 2.848588 2.160611 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.481215e-11 3.697243e-11 2.264709e-10 ] [ 2.413431e-11 2.204484e-10 1.035234e-10 ] [ 2.632044e-10 6.504598e-11 2.339521e-10 ] [ 2.588426e-10 1.874203e-10 4.57334e-12 ] [ 2.842468e-10 2.848588e-10 2.160611e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -10.9880631 -2.5428927 0.437069 ] [ 3.5037607 -0.1398289 -2.7592753 ] [ 10.6283582 -1.4757682 0.9376048 ] [ -4.3374066 0.6101876 0.3024489 ] [ 1.1933508 3.5483021 1.0821526 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.76048179517376e-08 -4.074163266709171e-09 7.002617392457459e-10 ] [ 5.613643524667483e-09 -2.240305963379226e-10 -4.42084641243334e-09 ] [ 1.702850716582229e-08 -2.364441327240239e-09 1.502208502486243e-09 ] [ -6.949291506677383e-09 9.776283150765383e-10 4.845765605590026e-10 ] [ 1.911958767925207e-09 5.685006714993131e-09 1.733799610142348e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.6424841 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.224460945073652e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.5277317 0.2818046 2.3108432 ] [ 0.1704927 1.6508132 0.4681321 ] [ 2.6576868 0.7199722 3.1285774 ] [ 2.0796683 2.9350631 0.1469896 ] [ 3.6168231 2.359806 1.7912661 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.277317e-11 2.818046e-11 2.3108432e-10 ] [ 1.704927e-11 1.6508132e-10 4.681321e-11 ] [ 2.6576868e-10 7.199722e-11 3.1285774e-10 ] [ 2.0796683e-10 2.9350631e-10 1.469896e-11 ] [ 3.6168231e-10 2.359806e-10 1.7912661e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.8e-06 -4.7e-06 1.7e-06 ] [ -1.07e-05 -1.93e-05 -7.9e-06 ] [ 2.1e-06 2.73e-05 -4.5e-06 ] [ 3.65e-05 1.42e-05 4.65e-05 ] [ -2.41e-05 -1.75e-05 -3.57e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.088271209199999e-15 -7.530230179799999e-15 2.7237002778e-15 ] [ -1.71432899838e-14 -3.09220090362e-14 -1.26571954086e-14 ] [ 3.364570931399999e-15 4.37394221082e-14 -7.209794853e-15 ] [ 5.847944714099999e-14 2.27509082028e-14 7.450121348099999e-14 ] [ -3.86124568794e-14 -2.8038091095e-14 -5.719770583379999e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.43342 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.992053500470828e-18 } }