{ "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" [ [ 2.648062 2.256008 1.840542 ] [ 2.082623 2.792532 4.589039 ] [ 1.893054 0.6019814 4.219017 ] [ 3.79314 0.2675402 2.698761 ] [ 5.137376 2.400602 1.294264 ] [ 4.215429 1.396012 4.868853 ] [ 4.085322 3.344134 3.585876 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.648062e-10 2.256008e-10 1.840542e-10 ] [ 2.082623e-10 2.792532e-10 4.589039e-10 ] [ 1.893054e-10 6.019814000000001e-11 4.219017e-10 ] [ 3.79314e-10 2.675402e-11 2.698761000000001e-10 ] [ 5.137376e-10 2.400602e-10 1.294264e-10 ] [ 4.215429000000001e-10 1.396012e-10 4.868853e-10 ] [ 4.085322e-10 3.344134e-10 3.585876e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6979475 0.8341845 1.2008376 ] [ -0.693736 1.3331351 -0.7743011 ] [ 0.2770555 -2.5423168 0.118399 ] [ 1.4569096 2.4491371 -1.4297906 ] [ -3.0234142 -2.1930255 2.8538263 ] [ -0.6813558 -0.9272387 0.2910167 ] [ 1.9665935 1.0461244 -2.259988 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.118235176258715e-09 1.336510914344973e-09 1.923953943948638e-09 ] [ -1.111487609364624e-09 2.135917907185253e-09 -1.240567130100497e-09 ] [ 4.43891848421187e-10 -4.073240573185651e-09 1.89696111288966e-10 ] [ 2.334226518970286e-09 3.923950235082521e-09 -2.29077709083284e-09 ] [ -4.844043586143802e-09 -3.513614213866167e-09 4.572333815354673e-09 ] [ -1.091652342200377e-09 -1.485600179280536e-09 4.662601568437877e-10 ] [ 3.150830154276279e-09 1.676076069937269e-09 -3.620899966720391e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.211402 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.238223602478087e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6051528 2.3989364 2.0351064 ] [ 2.067416 2.8180183 4.4105655 ] [ 2.0334256 0.3934742 4.2552047 ] [ 3.7259655 0.1841639 2.49585 ] [ 5.0083321 2.1428421 1.7727003 ] [ 4.1863368 1.4601993 4.6250522 ] [ 4.2283772 3.6611754 3.5018729 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6051528e-10 2.3989364e-10 2.0351064e-10 ] [ 2.067416e-10 2.8180183e-10 4.4105655e-10 ] [ 2.0334256e-10 3.934742e-11 4.2552047e-10 ] [ 3.7259655e-10 1.841639e-11 2.49585e-10 ] [ 5.008332099999999e-10 2.1428421e-10 1.7727003e-10 ] [ 4.1863368e-10 1.4601993e-10 4.6250522e-10 ] [ 4.2283772e-10 3.6611754e-10 3.5018729e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.1e-06 -6.6e-06 2.5e-06 ] [ 3.3e-06 3.5e-06 4.3e-06 ] [ 3.8e-06 1.04e-05 -6e-07 ] [ -2.7e-06 -8.6e-06 -1.1e-05 ] [ 1.2e-06 1.4e-06 6.9e-06 ] [ -1e-07 -4.4e-06 4e-07 ] [ -1.07e-05 4.3e-06 -2.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.1711008334e-15 -1.05743657844e-14 4.005441585e-15 ] [ 5.2871828922e-15 5.607618218999999e-15 6.8893595262e-15 ] [ 6.088271209199999e-15 1.66626369936e-14 -9.613059803999998e-16 ] [ -4.3258769118e-15 -1.37787190524e-14 -1.7623942974e-14 ] [ 1.9226119608e-15 2.2430472876e-15 1.10550187746e-14 ] [ -1.602176634e-16 -7.0495771896e-15 6.408706536e-16 ] [ -1.71432899838e-14 6.8893595262e-15 -3.845223921599999e-15 ] ] } "relaxed-potential-energy" { "source-value" -22.032609 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.53001313258581e-18 } }