{ "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" [ [ 2.464863 1.11645 1.673921 ] [ 1.905798 2.509771 3.967609 ] [ 1.228636 3.135192 1.685921 ] [ 4.446536 2.449344 1.565667 ] [ 4.18286 2.007242 3.638636 ] [ 3.206224 4.029955 3.010958 ] [ 5.270591 3.951163 3.865389 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.464863e-10 1.11645e-10 1.673921e-10 ] [ 1.905798e-10 2.509771000000001e-10 3.967609e-10 ] [ 1.228636e-10 3.135192e-10 1.685921e-10 ] [ 4.446536e-10 2.449344e-10 1.565667e-10 ] [ 4.18286e-10 2.007242e-10 3.638636e-10 ] [ 3.206224e-10 4.029955e-10 3.010958e-10 ] [ 5.270591e-10 3.951163e-10 3.865389e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.5232209 -15.2972043 -14.723081 ] [ -11.9419034 -2.3961395 16.8827377 ] [ -11.2557423 2.1517183 -8.8628563 ] [ 8.6124821 -8.3489158 -23.1134748 ] [ 14.2312923 -20.6139973 17.9721605 ] [ -7.4681908 32.8847329 -0.5477718 ] [ 14.3452831 11.6198057 12.3922856 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.045135201829393e-08 -2.450882309306123e-08 -2.358897616434468e-08 ] [ -1.913303843533203e-08 -3.839038687075402e-09 2.704912763803876e-08 ] [ -1.803368716280962e-08 3.447432754807521e-09 -1.419986115736999e-08 ] [ 1.379871746767849e-08 -1.337643770378773e-08 -3.703186895000995e-08 ] [ 2.280104380683106e-08 -3.302726453529433e-08 2.879457537836524e-08 ] [ -1.196536069943365e-08 5.268715023363259e-08 -8.776271714935335e-10 ] [ 2.298367720157735e-08 1.861698103077858e-08 1.98546302665965e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 14.380347 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.303985576239142e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5526923 1.8534627 0.7069159 ] [ 2.0524944 1.9455042 4.3291625 ] [ 1.5004939 3.1576342 2.3759335 ] [ 4.4983665 1.0231851 1.7705709 ] [ 4.3865242 1.9260752 3.9536638 ] [ 2.8846362 5.061765 2.6040921 ] [ 4.8303006 4.2314905 3.6677623 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5526923e-10 1.8534627e-10 7.069159e-11 ] [ 2.0524944e-10 1.9455042e-10 4.3291625e-10 ] [ 1.5004939e-10 3.1576342e-10 2.3759335e-10 ] [ 4.4983665e-10 1.0231851e-10 1.7705709e-10 ] [ 4.386524200000001e-10 1.9260752e-10 3.953663800000001e-10 ] [ 2.8846362e-10 5.061765e-10 2.6040921e-10 ] [ 4.8303006e-10 4.2314905e-10 3.6677623e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.06e-05 -1.71e-05 -2.73e-05 ] [ -1.3e-06 6.7e-06 2.08e-05 ] [ -1.46e-05 2.09e-05 -1.4e-06 ] [ 6.2e-06 4e-06 -1.16e-05 ] [ 9.8e-06 -1.33e-05 2.28e-05 ] [ -2.44e-05 1.24e-05 -5e-07 ] [ 1.38e-05 -1.37e-05 -2.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.698307218048e-14 -2.739722021568e-14 -4.373942174784e-14 ] [ -2.08282960704e-15 1.073458335936e-14 3.332527371264e-14 ] [ -2.339177866368e-14 3.348549137472e-14 -2.24304726912e-15 ] [ 9.93349504896e-15 6.4087064832e-15 -1.858524880128e-14 ] [ 1.570133088384e-14 -2.130894905664e-14 3.652962695424e-14 ] [ -3.909310954752e-14 1.986699009792e-14 -8.010883104e-16 ] [ 2.211003736704e-14 -2.194981970496e-14 -4.32587687616e-15 ] ] } "relaxed-potential-energy" { "source-value" -16.893559 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.706646527190543e-18 } }