{ "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" [ [ 2.669584 2.17361 1.86928 ] [ 2.40373 2.157546 4.053208 ] [ 2.652376 4.1548 1.079323 ] [ 1.859138 4.715654 3.12876 ] [ 4.632592 2.488435 2.820091 ] [ 5.239324 3.537857 1.028061 ] [ 3.752209 4.156911 4.495978 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.669584e-10 2.17361e-10 1.86928e-10 ] [ 2.40373e-10 2.157546e-10 4.053208e-10 ] [ 2.652376e-10 4.1548e-10 1.079323e-10 ] [ 1.859138e-10 4.715654e-10 3.12876e-10 ] [ 4.632592e-10 2.488435e-10 2.820091e-10 ] [ 5.239324e-10 3.537857e-10 1.028061e-10 ] [ 3.752209000000001e-10 4.156911e-10 4.495978e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.723407 -5.0389236 -3.3403643 ] [ -0.9851737 2.7935941 1.8270993 ] [ 1.27811 2.7239328 -2.1429203 ] [ 0.4510604 -1.0526191 2.0689546 ] [ 2.0133988 -1.3949989 4.2130272 ] [ -1.0629629 2.3394087 -2.0242255 ] [ 0.0289746 -0.3703941 -0.6015709 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.761202426272037e-09 -8.073245652431162e-09 -5.351853630507765e-09 ] [ -1.578422282571326e-09 4.475831191900259e-09 2.927335806457756e-09 ] [ 2.04775797768174e-09 4.364221484746195e-09 -3.43333683318427e-09 ] [ 7.226784334026935e-10 -1.686481726522109e-09 3.314830716926817e-09 ] [ 3.225820512283639e-09 -2.235034642035702e-09 6.750013738246444e-09 ] [ -1.703054321188878e-09 3.748145956516315e-09 -3.243166798046967e-09 ] [ 4.64224270994964e-11 -5.934367723914593e-10 -9.638228396743505e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -19.485056 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.12185014353815e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6816764 1.8257166 1.6796047 ] [ 2.2757871 2.4361186 3.9517937 ] [ 2.6391068 4.0677529 0.9860518 ] [ 2.0277477 4.7333487 3.1500758 ] [ 4.6908388 2.3163735 2.9960342 ] [ 4.9222034 3.8878388 1.2645325 ] [ 3.9715927 4.117664 4.4466081 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6816764e-10 1.8257166e-10 1.6796047e-10 ] [ 2.2757871e-10 2.4361186e-10 3.9517937e-10 ] [ 2.6391068e-10 4.0677529e-10 9.860518e-11 ] [ 2.0277477e-10 4.733348699999999e-10 3.150075800000001e-10 ] [ 4.6908388e-10 2.3163735e-10 2.9960342e-10 ] [ 4.9222034e-10 3.8878388e-10 1.2645325e-10 ] [ 3.9715927e-10 4.117664000000001e-10 4.4466081e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2e-05 -2.34e-05 -4.9e-06 ] [ -3.31e-05 3.24e-05 -1.2e-06 ] [ -2.68e-05 -1.94e-05 4.5e-06 ] [ 2.48e-05 -7.8e-06 5.6e-06 ] [ -9.8e-06 -5.3e-06 -1.37e-05 ] [ 7.2e-06 3.15e-05 3.29e-05 ] [ 1.77e-05 -8e-06 -2.31e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.204353268e-14 -3.749093323559999e-14 -7.850665506599998e-15 ] [ -5.303204658539999e-14 5.19105229416e-14 -1.9226119608e-15 ] [ -4.293833379119999e-14 -3.10822266996e-14 7.209794853e-15 ] [ 3.97339805232e-14 -1.24969777452e-14 8.972189150399999e-15 ] [ -1.57013310132e-14 -8.4915361602e-15 -2.19498198858e-14 ] [ 1.15356717648e-14 5.046856397099999e-14 5.271161125859999e-14 ] [ 2.83585264218e-14 -1.2817413072e-14 -3.70102802454e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.951751 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.517058252758614e-18 } }