{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.019678 3.528357 2.55152 ] [ 4.681874 1.030316 1.978031 ] [ 3.876194 2.698932 0.9098523 ] [ 3.736168 1.84025 3.911189 ] [ 5.498325 3.105138 2.775129 ] [ 3.884183 4.867643 2.227305 ] [ 3.327521 4.019973 4.190113 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.019678e-10 3.528357e-10 2.55152e-10 ] [ 4.681874e-10 1.030316e-10 1.978031e-10 ] [ 3.876194e-10 2.698932e-10 9.098523e-11 ] [ 3.736168e-10 1.84025e-10 3.911189e-10 ] [ 5.498325e-10 3.105138e-10 2.775129000000001e-10 ] [ 3.884183e-10 4.867643e-10 2.227305e-10 ] [ 3.327521e-10 4.019973e-10 4.190113e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -13.9518552 -4.8850433 -6.2473846 ] [ 3.5615974 -8.918739 -0.1098338 ] [ -6.4195928 4.3162434 -10.8826922 ] [ -1.3654565 -5.2791102 7.2719233 ] [ 9.549894 3.3834532 2.0272444 ] [ 8.327624 7.4100375 -5.1377965 ] [ 0.297789 3.9731584 13.0785394 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.23533364023914e-08 -7.826702231338253e-09 -1.000941362973144e-08 ] [ 5.706308133995152e-09 -1.428939523054453e-08 -1.759731479834292e-10 ] [ -1.028532158395463e-08 6.915384322136715e-09 -1.743599515785405e-08 ] [ -2.187702499043421e-09 -8.458067010751065e-09 1.165090559550017e-08 ] [ 1.53006170239768e-08 5.420889659272528e-09 3.248003609087349e-09 ] [ 1.334232458953761e-08 1.187218893956377e-08 -8.23165750254698e-09 ] [ 4.77110577662226e-10 6.365701551660825e-09 2.095413023352838e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -7.1772997 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.149930187455521e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.2310377 3.3041036 2.2509789 ] [ 4.7146907 1.4081449 2.1379953 ] [ 3.348499 3.0392134 0.8924602 ] [ 3.7124026 1.6080131 4.4120634 ] [ 6.5319598 3.1188383 2.548811 ] [ 4.5501529 4.6700956 2.2930478 ] [ 2.9352005 3.9422001 4.0077828 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.2310377e-10 3.3041036e-10 2.2509789e-10 ] [ 4.7146907e-10 1.4081449e-10 2.1379953e-10 ] [ 3.348499e-10 3.0392134e-10 8.924602e-11 ] [ 3.7124026e-10 1.6080131e-10 4.4120634e-10 ] [ 6.531959800000001e-10 3.1188383e-10 2.548811e-10 ] [ 4.5501529e-10 4.6700956e-10 2.2930478e-10 ] [ 2.9352005e-10 3.9422001e-10 4.0077828e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6e-07 1.1e-06 -4.9e-06 ] [ 9.7e-06 -6e-07 1.64e-05 ] [ -6.8e-06 7.6e-06 -8.6e-06 ] [ 4.7e-06 2.6e-06 -1.5e-06 ] [ -5.1e-06 -7.7e-06 -1e-05 ] [ 9.8e-06 4.3e-06 -1.4e-06 ] [ -1.3e-05 -7.4e-06 1.01e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.613059803999998e-16 1.7623942974e-15 -7.850665506599998e-15 ] [ 1.55411133498e-14 -9.613059803999998e-16 2.62756967976e-14 ] [ -1.08948011112e-14 1.21765424184e-14 -1.37787190524e-14 ] [ 7.530230179799999e-15 4.165659248399999e-15 -2.403264951e-15 ] [ -8.1711008334e-15 -1.23367600818e-14 -1.602176634e-14 ] [ 1.57013310132e-14 6.8893595262e-15 -2.2430472876e-15 ] [ -2.082829624199999e-14 -1.18561070916e-14 1.61819840034e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.813779 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.334735037903988e-18 } }