{ "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" [ [ -4.7038299 4.1827463 0.6508568 ] [ 0.0181245 -0.0500049 0.4597368 ] [ -1.2938545 -4.4009088 0.2504286 ] [ -0.2062182 0.3953531 -0.7215825 ] [ 2.3058731 0.2943211 -3.9827895 ] [ 4.6340398 1.4691356 0.3918397 ] [ -0.7541348 -1.8906424 2.9515101 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.536366294000002e-09 6.701498332597703e-09 1.042787548448701e-09 ] [ 2.90386501636896e-11 -8.011668170544192e-11 7.365795526814054e-10 ] [ -2.072983430616873e-09 -7.051033189632983e-09 4.012308480996749e-10 ] [ -3.303979788234585e-10 6.334254937808045e-10 -1.156102611478416e-09 ] [ 3.69441597135162e-09 4.715543854281388e-10 -6.381132222467722e-09 ] [ 7.424550227416708e-09 2.35381471110498e-09 6.277964064412858e-10 ] [ -1.208257145491684e-09 -3.029143051573202e-09 4.72884047827507e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.071157 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.055536187700627e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5666261 5.372206 2.2268199 ] [ 5.3395491 3.2658869 0.8016485 ] [ 3.4134525 2.0613361 3.8009252 ] [ 5.5208055 2.4284906 2.9417125 ] [ 4.7676998 5.3728212 1.5417952 ] [ 5.3455847 4.6569739 3.724151 ] [ 3.0548224 4.3015953 4.2091027 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5666261e-10 5.372206e-10 2.2268199e-10 ] [ 5.339549100000001e-10 3.2658869e-10 8.016485e-11 ] [ 3.4134525e-10 2.0613361e-10 3.8009252e-10 ] [ 5.5208055e-10 2.4284906e-10 2.9417125e-10 ] [ 4.7676998e-10 5.3728212e-10 1.5417952e-10 ] [ 5.3455847e-10 4.6569739e-10 3.724151e-10 ] [ 3.0548224e-10 4.3015953e-10 4.2091027e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.29e-05 -3.17e-05 -2.67e-05 ] [ 1.15e-05 5.9e-05 -7.48e-05 ] [ 5.4e-05 4.55e-05 3.1e-05 ] [ -4.09e-05 -2.1e-05 1.39e-05 ] [ 2.4e-05 -3.55e-05 2.64e-05 ] [ -2.69e-05 -5.17e-05 2.29e-05 ] [ 1.3e-06 3.54e-05 7.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.668984461632e-14 -5.078899887936e-14 -4.277811577536e-14 ] [ 1.84250311392e-14 9.45284206272e-14 -1.1984281123584e-13 ] [ 8.65175375232e-14 7.28990362464e-14 4.96674752448e-14 ] [ -6.552902379072e-14 -3.36457090368e-14 2.227025502912e-14 ] [ 3.84522388992e-14 -5.68772700384e-14 4.229746278912e-14 ] [ -4.309855109952001e-14 -8.283253129536002e-14 3.668984461632e-14 ] [ 2.08282960704e-15 5.671705237632e-14 1.169588933184e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.73491 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.642534127799213e-18 } }