{ "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" [ [ 2.55675 2.192965 3.527099 ] [ 1.806278 5.26626 2.450306 ] [ 0.8031725 3.384297 2.630387 ] [ 2.570894 3.149532 1.167105 ] [ 2.627788 4.286276 4.286712 ] [ 4.842075 2.861339 2.293967 ] [ 3.90768 5.002934 2.246314 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.55675e-10 2.192965e-10 3.527099e-10 ] [ 1.806278e-10 5.26626e-10 2.450306e-10 ] [ 8.031725e-11 3.384297e-10 2.630387e-10 ] [ 2.570894e-10 3.149532e-10 1.167105e-10 ] [ 2.627788e-10 4.286276e-10 4.286712e-10 ] [ 4.842075000000001e-10 2.861339e-10 2.293967e-10 ] [ 3.90768e-10 5.002934e-10 2.246314e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.3784826 -3.3635114 -0.506869 ] [ -4.1203953 6.0543861 -2.3003602 ] [ -4.5542455 -3.1333139 1.1344202 ] [ 1.5910927 -0.2096162 -1.486672 ] [ 0.7161131 1.4138685 3.2252677 ] [ -1.272632 -1.2335878 0.303668 ] [ 5.2615844 0.4717747 -0.3694547 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.810749246095567e-09 -5.388939373272627e-09 -8.120936682989459e-10 ] [ -6.601601072503419e-09 9.700195942634386e-09 -3.685583362223567e-09 ] [ -7.296705725599647e-09 -5.020122317567413e-09 1.817541537577607e-09 ] [ 2.549211546467971e-09 -3.358421777478708e-10 -2.381911140822048e-09 ] [ 1.147339676121305e-09 2.265267074248629e-09 5.167448547334921e-09 ] [ -2.038981254080688e-09 -1.976425549147465e-09 4.865297740935119e-10 ] [ 8.42998758349891e-09 7.558664008523598e-10 -5.919316876614798e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -18.898376 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.027853644774638e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7894037 2.0422367 3.485518 ] [ 1.6921294 5.4305022 2.1384298 ] [ 0.7391311 3.2747361 2.8705655 ] [ 2.5766295 3.2929914 1.1560151 ] [ 2.5041792 4.3840162 4.2742 ] [ 4.7099045 2.7048311 2.2010154 ] [ 4.1032601 5.0142893 2.4761462 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7894037e-10 2.0422367e-10 3.485518e-10 ] [ 1.6921294e-10 5.4305022e-10 2.1384298e-10 ] [ 7.391311e-11 3.2747361e-10 2.8705655e-10 ] [ 2.5766295e-10 3.2929914e-10 1.1560151e-10 ] [ 2.5041792e-10 4.3840162e-10 4.274200000000001e-10 ] [ 4.709904500000001e-10 2.7048311e-10 2.2010154e-10 ] [ 4.1032601e-10 5.0142893e-10 2.4761462e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.6e-06 2.11e-05 1.36e-05 ] [ -3.7e-06 1.19e-05 -1.11e-05 ] [ -1.27e-05 -6.8e-06 1.71e-05 ] [ 2.4e-06 -1.08e-05 -2.45e-05 ] [ -1.04e-05 -4.1e-06 6e-06 ] [ 2.25e-05 -7.9e-06 -2.6e-05 ] [ 6.6e-06 -3.4e-06 2.49e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.370012516399999e-15 3.38059269774e-14 2.17896022224e-14 ] [ -5.9280535458e-15 1.90659019446e-14 -1.77841606374e-14 ] [ -2.03476432518e-14 -1.08948011112e-14 2.73972204414e-14 ] [ 3.845223921599999e-15 -1.73035076472e-14 -3.925332753299999e-14 ] [ -1.66626369936e-14 -6.568924199399999e-15 9.613059803999999e-15 ] [ 3.6048974265e-14 -1.26571954086e-14 -4.165659248399999e-14 ] [ 1.05743657844e-14 -5.4474005556e-15 3.989419818659999e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.602861 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.461159912174987e-18 } }