{ "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" [ [ 2.674789 2.922951 1.929928 ] [ 1.975006 0.6488867 2.865648 ] [ 2.721706 2.680777 4.242411 ] [ 4.506989 0.6613651 2.267837 ] [ 4.914488 1.931532 3.86875 ] [ 3.976236 4.774813 0.5862588 ] [ 4.03158 4.218687 2.874326 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.674789e-10 2.922951e-10 1.929928e-10 ] [ 1.975006e-10 6.488867e-11 2.865648e-10 ] [ 2.721706e-10 2.680777e-10 4.242411e-10 ] [ 4.506989e-10 6.613651e-11 2.267837e-10 ] [ 4.914488e-10 1.931532e-10 3.86875e-10 ] [ 3.976236e-10 4.774813e-10 5.862588e-11 ] [ 4.03158e-10 4.218687e-10 2.874326e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.7905915 -1.9617032 -2.0062711 ] [ 2.679101 1.2370691 0.1579403 ] [ -0.3835698 -1.2018935 -0.3265112 ] [ -3.0716991 -0.5549423 -1.2806857 ] [ 0.5381292 1.7797129 1.5650948 ] [ -0.0254437 -0.5228673 -0.024836 ] [ 2.054074 1.2246243 1.9152689 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.868843862339011e-09 -3.142995029883029e-09 -3.214400677889477e-09 ] [ 4.292393022326034e-09 1.982003206663409e-09 2.530482582269502e-10 ] [ -6.145465710680532e-10 -1.925645682256479e-09 -5.231286153793007e-10 ] [ -4.921404524698829e-09 -8.891155862782181e-10 -2.051884704037933e-09 ] [ 8.621780303131127e-10 2.851414423608379e-09 2.507558318554903e-09 ] [ -4.076530162250579e-11 -8.377257707426681e-10 -3.9791658882024e-11 ] [ 3.290989367306915e-09 1.962064438888606e-09 3.068599079406883e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.380962005765543 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.624519456807932e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4153581 2.8185634 1.5206635 ] [ 2.4873184 0.4383182 3.4339351 ] [ 2.4734635 2.7868356 3.8718473 ] [ 3.9642164 1.0721238 1.6969425 ] [ 4.8795399 2.2361896 3.5469473 ] [ 4.3629577 3.9868011 1.1490251 ] [ 4.21794 4.5001801 3.415798 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4153581e-10 2.8185634e-10 1.5206635e-10 ] [ 2.4873184e-10 4.383182e-11 3.4339351e-10 ] [ 2.4734635e-10 2.7868356e-10 3.8718473e-10 ] [ 3.9642164e-10 1.0721238e-10 1.6969425e-10 ] [ 4.8795399e-10 2.2361896e-10 3.5469473e-10 ] [ 4.3629577e-10 3.9868011e-10 1.1490251e-10 ] [ 4.21794e-10 4.5001801e-10 3.415798e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.57e-05 2.32e-05 5.6e-06 ] [ -2.39e-05 -3.46e-05 1.6e-05 ] [ 1.87e-05 4.4e-06 3.92e-05 ] [ 6.9e-06 -1.6e-06 -5.99e-05 ] [ -7.6e-06 2.32e-05 2.33e-05 ] [ 1.73e-05 -1.82e-05 1.28e-05 ] [ -2.71e-05 3.6e-06 -3.7e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.515417315379999e-14 3.71704979088e-14 8.972189150399999e-15 ] [ -3.82920215526e-14 -5.54353115364e-14 2.5634826144e-14 ] [ 2.99607030558e-14 7.0495771896e-15 6.280532405279998e-14 ] [ 1.10550187746e-14 -2.5634826144e-15 -9.597038037659999e-14 ] [ -1.21765424184e-14 3.71704979088e-14 3.733071557219999e-14 ] [ 2.77176557682e-14 -2.915961473879999e-14 2.05078609152e-14 ] [ -4.34189867814e-14 5.767835882399999e-15 -5.9280535458e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.021797005765546 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.207845533332872e-18 } }