{ "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" [ [ 2.930378 5.180054 2.851976 ] [ 5.738994 3.052967 1.218676 ] [ 3.217774 2.94037 2.40806 ] [ 5.439965 2.572298 3.526756 ] [ 4.050256 4.656384 1.057411 ] [ 5.133306 4.977378 3.451883 ] [ 3.497867 4.079859 4.731393 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.930378e-10 5.180054e-10 2.851976e-10 ] [ 5.738994e-10 3.052967000000001e-10 1.218676e-10 ] [ 3.217774e-10 2.94037e-10 2.40806e-10 ] [ 5.439965e-10 2.572298e-10 3.526756e-10 ] [ 4.050256e-10 4.656384e-10 1.057411e-10 ] [ 5.133306e-10 4.977378e-10 3.451883e-10 ] [ 3.497867e-10 4.079859e-10 4.731393e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -19.6967778 18.9623983 -0.6243144 ] [ 13.3806977 -6.7302304 -12.446052 ] [ -28.4885219 -33.3986024 -9.9493892 ] [ 11.8148473 -12.1390399 3.2483778 ] [ 1.4714765 6.8568917 -23.7617435 ] [ 30.1634906 26.5602372 18.0624927 ] [ -8.6452122 -0.1116546 25.4706286 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.155771689625246e-08 3.038111123055767e-08 -1.00026193570878e-09 ] [ 2.143824102493233e-08 -1.078301779947743e-08 -1.994077353566108e-08 ] [ -4.564364374932879e-08 -5.351045993267477e-08 -1.594067876748002e-08 ] [ 1.892947212238201e-08 -1.944888592673837e-08 5.204474966685739e-09 ] [ 2.357565246356611e-09 1.098595157309757e-08 -3.807050990514637e-08 ] [ 4.832723944104057e-08 4.255419108474246e-08 2.893930351731067e-08 ] [ -1.385115686869493e-08 -1.788903897247757e-10 4.080844565999984e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 16.863178 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.701778954398891e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8283882 5.7732068 2.4234175 ] [ 5.7703663 3.5232543 0.933498 ] [ 3.2661268 2.1573062 3.3997613 ] [ 5.6670964 2.498534 3.0505562 ] [ 3.7406267 4.6868494 0.5168347 ] [ 5.5853702 4.3971024 4.5971048 ] [ 3.1505653 4.4230569 4.3249825 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8283882e-10 5.7732068e-10 2.4234175e-10 ] [ 5.7703663e-10 3.5232543e-10 9.334980000000001e-11 ] [ 3.2661268e-10 2.1573062e-10 3.3997613e-10 ] [ 5.6670964e-10 2.498534e-10 3.0505562e-10 ] [ 3.7406267e-10 4.6868494e-10 5.168347e-11 ] [ 5.5853702e-10 4.3971024e-10 4.5971048e-10 ] [ 3.1505653e-10 4.4230569e-10 4.3249825e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.95e-05 -4.8e-06 3.35e-05 ] [ 5.85e-05 -1.39e-05 2.95e-05 ] [ -4.78e-05 -8.02e-05 1e-06 ] [ 1.27e-05 -3.01e-05 -1.34e-05 ] [ -8.5e-06 3.85e-05 -5.25e-05 ] [ 0.000101 2.33e-05 -7.3e-06 ] [ -6.62e-05 6.72e-05 9.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.930774272959999e-14 -7.69044777984e-15 5.36729167968e-14 ] [ 9.37273323168e-14 -2.227025502912e-14 4.72642103136e-14 ] [ -7.658404247424001e-14 -1.2849456498816e-13 1.6021766208e-15 ] [ 2.034764308416e-14 -4.822551628608e-14 -2.146916671872e-14 ] [ -1.36185012768e-14 6.16837999008e-14 -8.4114272592e-14 ] [ 1.618198387008e-13 3.733071526464e-14 -1.169588933184e-14 ] [ -1.0606409229696e-13 1.0766626891776e-13 1.490024257344e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.090724 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.738235842534546e-18 } }