{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.247505 0.2174365 0.42208 ] [ 0.0506875 0.0915851 2.362651 ] [ 1.429891 2.603248 1.463699 ] [ 0.6097234 2.164425 2.912732 ] [ 2.744149 0.6540612 0.6213704 ] [ 2.652131 2.68783 0.0915898 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.247505e-10 2.174365e-11 4.2208e-11 ] [ 5.068750000000001e-12 9.15851e-12 2.362651e-10 ] [ 1.429891e-10 2.603248e-10 1.463699e-10 ] [ 6.097234e-11 2.164425e-10 2.912732e-10 ] [ 2.744149e-10 6.540612e-11 6.213704e-11 ] [ 2.652131e-10 2.68783e-10 9.15898e-12 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -99.8463198 -34.0532681 -19.7450341 ] [ -0.0454217 -2.4301812 1.355475 ] [ -1.2642212 27.8959089 -23.714503 ] [ -31.5665324 -16.8325405 60.9664268 ] [ 101.6561276 24.1700362 14.0300354 ] [ 31.0663675 1.2500446 -32.8924001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.599714392564801e-07 -5.455935001165444e-08 -3.163503201191877e-08 ] [ -7.277358581699137e-11 -3.893579502947689e-09 2.17171035507888e-09 ] [ -2.025505650159721e-09 4.469417305554665e-08 -3.799482228049147e-08 ] [ -5.057516021100571e-08 -2.696870285776915e-08 9.767898367267457e-08 ] [ 1.628710710017816e-07 3.872466692352967e-08 2.247859470687638e-08 ] [ 4.977380770168094e-08 2.002792233077288e-09 -5.269943444221959e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 40.414758 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.475158040288977e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.746447 0.3744057 0.3775815 ] [ 0.2761359 -0.1785379 2.7613811 ] [ 0.8283604 2.7530535 0.8442607 ] [ 0.3647892 2.3953143 3.2663629 ] [ 3.2148587 0.2502483 0.0597729 ] [ 3.3034958 2.8241018 0.5647631 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.46447e-11 3.744057e-11 3.775815000000001e-11 ] [ 2.761359e-11 -1.785379e-11 2.7613811e-10 ] [ 8.283604e-11 2.7530535e-10 8.442607e-11 ] [ 3.647892e-11 2.3953143e-10 3.2663629e-10 ] [ 3.214858700000001e-10 2.502483e-11 5.97729e-12 ] [ 3.3034958e-10 2.8241018e-10 5.647631e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.64e-05 2.46e-05 -3.31e-05 ] [ 1.2e-05 -3.04e-05 3.88e-05 ] [ 4.23e-05 -1.22e-05 -3.7e-05 ] [ 1.9e-06 -7.1e-06 -1.8e-06 ] [ -3.04e-05 1.84e-05 2.77e-05 ] [ -9.5e-06 6.6e-06 5.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.627569658112e-14 3.941354487168e-14 -5.303204614848e-14 ] [ 1.92261194496e-14 -4.870616927232e-14 6.216445288704e-14 ] [ 6.777207105984e-14 -1.954655477376e-14 -5.92805349696e-14 ] [ 3.04413557952e-15 -1.137545400768e-14 -2.88391791744e-15 ] [ -4.870616927232e-14 2.948004982272e-14 4.438029239616e-14 ] [ -1.52206778976e-14 1.057436569728e-14 8.8119714144e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.238735 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.761949818916669e-18 } }