{ "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" [ [ 0.223645 0.1945873 1.126976 ] [ 0.7288277 2.388611 0.0814776 ] [ 2.404153 0.5300895 0.5572584 ] [ 2.145602 0.6403931 2.690423 ] [ 2.26761 2.998114 1.480003 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.23645e-11 1.945873e-11 1.126976e-10 ] [ 7.288277e-11 2.388611e-10 8.14776e-12 ] [ 2.404153e-10 5.300895e-11 5.572584000000001e-11 ] [ 2.145602e-10 6.403931000000001e-11 2.690423e-10 ] [ 2.26761e-10 2.998114e-10 1.480003e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.5361776 0.0629592 0.5298081 ] [ -2.2833128 -1.4769914 -2.0243155 ] [ 2.1001449 0.989956 -4.5845763 ] [ -0.6959586 1.0096521 3.6948104 ] [ 2.415304 -0.5855759 2.3842734 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.461227836116654e-09 1.008717583042714e-10 8.488461513304685e-10 ] [ -3.658270386133386e-09 -2.366401090202661e-09 -3.243310967223063e-09 ] [ 3.364803059072354e-09 1.586084358820685e-09 -7.345300964133768e-09 ] [ -1.115048597964699e-09 1.617640989761624e-09 5.919738841168697e-09 ] [ 3.869743600924723e-09 -9.381960166839187e-10 3.820027099075327e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.541335 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.009343373062077e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.226147 0.2068295 1.2133446 ] [ 0.6317159 2.2821322 0.0242049 ] [ 2.5014157 0.6811016 0.3424144 ] [ 2.0024696 0.7532324 2.7726799 ] [ 2.4080895 2.8284992 1.5834943 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.26147e-11 2.068295e-11 1.2133446e-10 ] [ 6.317159e-11 2.2821322e-10 2.42049e-12 ] [ 2.5014157e-10 6.811016e-11 3.424144e-11 ] [ 2.0024696e-10 7.532324e-11 2.7726799e-10 ] [ 2.4080895e-10 2.8284992e-10 1.5834943e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.98e-05 6.96e-05 7.1e-06 ] [ 2.26e-05 -4.32e-05 -2.3e-06 ] [ -1.87e-05 1.69e-05 2.57e-05 ] [ 2.59e-05 1.01e-05 -5.07e-05 ] [ -4.95e-05 -5.34e-05 2.02e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.172309709184e-14 1.1151149280768e-13 1.137545400768e-14 ] [ 3.620919163008e-14 -6.921403001856e-14 -3.68500622784e-15 ] [ -2.996070280896e-14 2.707678489152e-14 4.117593915456e-14 ] [ 4.149637447872e-14 1.618198387008e-14 -8.123035467456e-14 ] [ -7.930774272959999e-14 -8.555623155072e-14 3.236396774016e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.867937 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.221888444012729e-18 } }