{ "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" [ [ 1.222424 2.904477 0.9358623 ] [ 1.494107 1.000567 2.599919 ] [ 2.753047 4.765039 1.902757 ] [ 2.502796 3.18307 3.733295 ] [ 3.53967 2.110225 1.931082 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.222424e-10 2.904477e-10 9.358623e-11 ] [ 1.494107e-10 1.000567e-10 2.599919e-10 ] [ 2.753047e-10 4.765039e-10 1.902757e-10 ] [ 2.502796e-10 3.18307e-10 3.733295e-10 ] [ 3.53967e-10 2.110225e-10 1.931082e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.5226939 0.8262671 -3.6628902 ] [ -2.975529 -4.3322095 0.6613469 ] [ -0.4102999 4.2029515 -0.5770545 ] [ 0.6419801 2.6458037 5.6900046 ] [ 5.2665427 -3.3428127 -2.1114068 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.041801221314332e-09 1.323825841062941e-09 -5.868597091347586e-09 ] [ -4.767323037589386e-09 -6.940964834492823e-09 1.059594550148334e-09 ] [ -6.573729127125366e-10 6.733870687135251e-09 -9.24543236444553e-10 ] [ 1.028565515712983e-09 4.239044866290746e-09 9.116392417472516e-09 ] [ 8.43793165590327e-09 -5.355776399778452e-09 -3.382846639828711e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.062345 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.612165404224673e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.673992 3.1344296 0.8486345 ] [ 1.6265007 0.876485 1.4979771 ] [ 1.9715195 4.9200496 2.0957191 ] [ 3.7258978 3.7656713 3.5158608 ] [ 3.5141339 1.2667425 3.1447238 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.739920000000001e-11 3.1344296e-10 8.486344999999999e-11 ] [ 1.6265007e-10 8.76485e-11 1.4979771e-10 ] [ 1.9715195e-10 4.9200496e-10 2.0957191e-10 ] [ 3.7258978e-10 3.7656713e-10 3.5158608e-10 ] [ 3.5141339e-10 1.2667425e-10 3.1447238e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.4e-06 5.1e-06 2.6e-06 ] [ 1.11e-05 3.3e-06 -4.3e-06 ] [ -1.9e-06 -9.6e-06 3.5e-06 ] [ 5.2e-06 6.3e-06 -9.6e-06 ] [ -1.11e-05 -5.1e-06 7.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.4474005556e-15 8.1711008334e-15 4.165659248399999e-15 ] [ 1.77841606374e-14 5.2871828922e-15 -6.8893595262e-15 ] [ -3.0441356046e-15 -1.53808956864e-14 5.607618218999999e-15 ] [ 8.331318496799998e-15 1.00937127942e-14 -1.53808956864e-14 ] [ -1.77841606374e-14 -8.1711008334e-15 1.24969777452e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.716098 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.197561172525413e-18 } }