{ "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" [ [ 1.743709 2.680969 1.034902 ] [ 2.749822 1.528948 3.390438 ] [ 1.938557 3.742026 2.98984 ] [ 3.932402 1.721019 1.334077 ] [ 5.171354 1.721023 3.429234 ] [ 4.220666 3.803748 1.650722 ] [ 4.237092 3.532846 4.042988 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.743709e-10 2.680969e-10 1.034902e-10 ] [ 2.749822e-10 1.528948e-10 3.390438e-10 ] [ 1.938557e-10 3.742026e-10 2.98984e-10 ] [ 3.932402e-10 1.721019e-10 1.334077e-10 ] [ 5.171354e-10 1.721023e-10 3.429234e-10 ] [ 4.220666e-10 3.803748e-10 1.650722e-10 ] [ 4.237092e-10 3.532846e-10 4.042988e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -17.3091507 -0.0543636 -15.7066884 ] [ -16.964542 -26.1594758 18.5266808 ] [ -18.3242015 12.5996538 7.9150677 ] [ 7.7049937 -16.3284336 -22.1436941 ] [ 18.5921329 -13.8126352 11.1016601 ] [ 16.4357376 26.6267125 -18.2365253 ] [ 9.8650301 17.1285418 18.5434991 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.773231657744396e-08 -8.710008894252287e-11 -2.516488894467056e-08 ] [ -2.718019257497968e-08 -4.191210053914337e-08 2.968301483878424e-08 ] [ -2.935860723812829e-08 2.018687074853388e-08 1.268133642098923e-08 ] [ 1.234476076955129e-08 -2.616103456820518e-08 -3.54781089851669e-08 ] [ 2.97878806631865e-08 -2.213028118907914e-08 1.778682026428819e-08 ] [ 2.63329545283235e-08 4.266069625626312e-08 -2.921813448028771e-08 ] [ 1.580552058970829e-08 2.744294922035555e-08 2.970996072584584e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 10.954936 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.755174234156027e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8886676 2.6243773 1.1018929 ] [ 2.8446629 1.3121609 4.3796197 ] [ 1.8906744 3.2346591 3.3858839 ] [ 4.1890775 2.0910215 0.9890922 ] [ 4.3942342 0.5412 2.7638073 ] [ 5.1678825 4.0781006 1.8180039 ] [ 3.6184029 4.8490596 3.433901 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8886676e-10 2.6243773e-10 1.1018929e-10 ] [ 2.8446629e-10 1.3121609e-10 4.3796197e-10 ] [ 1.8906744e-10 3.2346591e-10 3.3858839e-10 ] [ 4.1890775e-10 2.0910215e-10 9.890922e-11 ] [ 4.3942342e-10 5.412e-11 2.7638073e-10 ] [ 5.1678825e-10 4.0781006e-10 1.8180039e-10 ] [ 3.6184029e-10 4.8490596e-10 3.433901e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.25e-05 -2.6e-06 -2.45e-05 ] [ 7.77e-05 -1e-05 -5.48e-05 ] [ 1.54e-05 3.57e-05 2.46e-05 ] [ 2.29e-05 1.67e-05 6.33e-05 ] [ -5.26e-05 1.62e-05 -6.1e-06 ] [ -6.25e-05 -5.71e-05 3.23e-05 ] [ -1.33e-05 1.1e-06 -3.48e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.002720776e-14 -4.16565921408e-15 -3.92533272096e-14 ] [ 1.2448912343616e-13 -1.6021766208e-14 -8.779927881984e-14 ] [ 2.467351996032e-14 5.719770536256001e-14 3.941354487168e-14 ] [ 3.668984461632e-14 2.675634956736e-14 1.0141778009664e-13 ] [ -8.427449025408001e-14 2.595526125696e-14 -9.77327738688e-15 ] [ -1.001360388e-13 -9.148428504768e-14 5.175030485184e-14 ] [ -2.130894905664e-14 1.76239428288e-15 -5.575574640383999e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.037353 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.889902527771674e-18 } }