{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.063375 0.5708417 2.359419 ] [ 2.68579 2.886891 2.868985 ] [ 0.6763911 2.686272 1.583941 ] [ 2.607368 0.7750333 4.497523 ] [ 3.625325 0.6457468 2.38821 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.063375e-10 5.708417e-11 2.359419e-10 ] [ 2.68579e-10 2.886891e-10 2.868985e-10 ] [ 6.763911e-11 2.686272e-10 1.583941e-10 ] [ 2.607368e-10 7.750333e-11 4.497523e-10 ] [ 3.625325e-10 6.457468e-11 2.38821e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.3169223 -1.0027335 0.0353527 ] [ 0.1548316 -0.2160304 -0.9330386 ] [ 0.1911778 0.8342603 0.1851335 ] [ -0.0426476 -0.4357607 0.3931953 ] [ 0.0135605 0.8202643 0.3193571 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.077655038535381e-10 -1.606556183829039e-09 5.66412698888118e-11 ] [ 2.480675717248344e-10 -3.461188591136736e-10 -1.494892643540072e-09 ] [ 3.063006040995252e-10 1.33663235933383e-09 2.96616567870639e-10 ] [ -6.832898821617839e-11 -6.981656115554837e-10 6.299683222586201e-10 ] [ 2.1726316245357e-11 1.314208295164366e-09 5.116664835220013e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -8.4386837 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.352026184585666e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.534923 0.6768633 1.8565931 ] [ 2.9139172 2.8895339 2.0763072 ] [ 0.7259502 2.5551036 1.4689992 ] [ 3.3948716 -0.1442904 4.7972132 ] [ 4.1584331 1.5875744 3.4989653 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.34923e-11 6.768633e-11 1.8565931e-10 ] [ 2.9139172e-10 2.8895339e-10 2.0763072e-10 ] [ 7.259502000000001e-11 2.5551036e-10 1.4689992e-10 ] [ 3.3948716e-10 -1.442904e-11 4.7972132e-10 ] [ 4.1584331e-10 1.5875744e-10 3.4989653e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.92e-05 -1.13e-05 1.16e-05 ] [ 1.61e-05 9.8e-06 4e-07 ] [ 1e-07 -9.7e-06 1.76e-05 ] [ -2.78e-05 2.92e-05 -3.19e-05 ] [ -7.6e-06 -1.8e-05 2.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.076179137279999e-14 -1.81045959642e-14 1.85852489544e-14 ] [ 2.579504380739999e-14 1.57013310132e-14 6.408706536e-16 ] [ 1.602176634e-16 -1.55411133498e-14 2.81983087584e-14 ] [ -4.454051042519999e-14 4.67835577128e-14 -5.11094346246e-14 ] [ -1.21765424184e-14 -2.8839179412e-14 3.845223921599999e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.663724 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.708516942422502e-18 } }