{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.448876 1.489587 3.211478 ] [ 1.818052 3.686595 2.502768 ] [ 2.645526 3.343853 4.556562 ] [ 4.834539 1.578647 2.504909 ] [ 4.649923 2.062861 4.836234 ] [ 4.865091 3.729921 2.57452 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.448876e-10 1.489587e-10 3.211478e-10 ] [ 1.818052e-10 3.686595e-10 2.502768e-10 ] [ 2.645526e-10 3.343853e-10 4.556562e-10 ] [ 4.834539e-10 1.578647e-10 2.504909e-10 ] [ 4.649923e-10 2.062861e-10 4.836234000000001e-10 ] [ 4.865090999999999e-10 3.729921e-10 2.57452e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.8647771 -0.803026 -0.6145576 ] [ 0.3074186 0.248869 -1.1801987 ] [ 0.9553078 0.585959 1.5406436 ] [ -0.7871283 -2.0125187 0.2078803 ] [ -0.2981135 0.3351032 -0.6862973 ] [ -1.0422618 1.6456136 0.7325297 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.385525651823224e-09 -1.286589483094541e-09 -9.84629818854958e-10 ] [ 4.925388937190669e-10 3.987320934418752e-10 -1.890886765038553e-09 ] [ 1.530571822827882e-09 9.388098105473472e-10 2.468383156905147e-09 ] [ -1.261118559830049e-09 -3.224410410062809e-09 3.330609565848903e-10 ] [ -4.776304800448608e-10 5.368945125952666e-10 -1.099569488978164e-09 ] [ -1.669887488712925e-09 2.636563636790523e-09 1.173641959381638e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.005494 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.045015815355467e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4595895 1.3042916 3.6111199 ] [ 2.4768358 3.284045 2.1391587 ] [ 2.6893622 3.5608668 4.5814101 ] [ 4.3979732 1.7362876 2.1474135 ] [ 4.6105001 2.0131099 4.5896648 ] [ 4.6277462 3.992863 3.1177038 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4595895e-10 1.3042916e-10 3.6111199e-10 ] [ 2.4768358e-10 3.284045e-10 2.1391587e-10 ] [ 2.6893622e-10 3.5608668e-10 4.5814101e-10 ] [ 4.3979732e-10 1.7362876e-10 2.1474135e-10 ] [ 4.610500100000001e-10 2.0131099e-10 4.589664800000001e-10 ] [ 4.6277462e-10 3.992863e-10 3.1177038e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -9e-07 6e-07 3e-07 ] [ -4e-07 -7e-07 -2e-07 ] [ -1e-07 -6e-07 3e-07 ] [ 7e-07 1.2e-06 -3e-07 ] [ -1e-07 -1e-07 5e-07 ] [ 7e-07 -4e-07 -6e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.44195895872e-15 9.6130597248e-16 4.8065298624e-16 ] [ -6.408706483200001e-16 -1.12152363456e-15 -3.2043532416e-16 ] [ -1.6021766208e-16 -9.6130597248e-16 4.8065298624e-16 ] [ 1.12152363456e-15 1.92261194496e-15 -4.8065298624e-16 ] [ -1.6021766208e-16 -1.6021766208e-16 8.010883104e-16 ] [ 1.12152363456e-15 -6.408706483200001e-16 -9.6130597248e-16 ] ] } "relaxed-potential-energy" { "source-value" -20.568499 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.295436822274818e-18 } }