{ "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" [ [ 1.939068 2.794248 2.067966 ] [ 1.448231 2.940333 4.223978 ] [ 1.5948 5.060325 2.938211 ] [ 4.644526 2.195179 2.001544 ] [ 4.236112 3.084417 4.332379 ] [ 3.905251 4.388461 2.479334 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.939068e-10 2.794248e-10 2.067966e-10 ] [ 1.448231e-10 2.940333e-10 4.223978e-10 ] [ 1.5948e-10 5.060325e-10 2.938211e-10 ] [ 4.644526e-10 2.195179e-10 2.001544e-10 ] [ 4.236112000000001e-10 3.084417e-10 4.332379e-10 ] [ 3.905251e-10 4.388461e-10 2.479334e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.6825965 0.4197364 -0.8361482 ] [ 2.6358991 1.303786 1.4391339 ] [ 0.2811217 -1.3268507 0.1076329 ] [ -2.6092707 0.2538437 0.9820937 ] [ -3.169801 -1.3946955 -1.2423992 ] [ -1.8205456 0.7441801 -0.4503132 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.502346636939907e-09 6.724918469787571e-10 -1.339657097564003e-09 ] [ 4.223175912807761e-09 2.088895447726349e-09 2.305746688780726e-09 ] [ 4.504066153395513e-10 -2.125849170832115e-09 1.724469160089043e-10 ] [ -4.180512512878451e-09 4.067024414773689e-10 1.573487565574969e-09 ] [ -5.078581054788462e-09 -2.234548523234966e-09 -1.990542951940623e-09 ] [ -2.916835597420309e-09 1.192307957884606e-09 -7.214812810776347e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -19.541798 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.13094118839962e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2443468 2.7833096 2.1140299 ] [ 1.3267849 2.782652 4.348398 ] [ 1.9758898 4.8863059 3.34024 ] [ 4.5861751 2.1924672 2.1464573 ] [ 3.6743932 3.2912578 4.094697 ] [ 3.9603982 4.5269706 1.9995898 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2443468e-10 2.7833096e-10 2.1140299e-10 ] [ 1.3267849e-10 2.782652e-10 4.348398000000001e-10 ] [ 1.9758898e-10 4.8863059e-10 3.34024e-10 ] [ 4.5861751e-10 2.1924672e-10 2.1464573e-10 ] [ 3.6743932e-10 3.2912578e-10 4.094697e-10 ] [ 3.9603982e-10 4.5269706e-10 1.9995898e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.54e-05 -2.85e-05 -1.39e-05 ] [ 1.58e-05 -2.31e-05 -2.12e-05 ] [ 1.8e-06 3.34e-05 4.37e-05 ] [ -8.6e-06 -2.01e-05 4e-05 ] [ -8.8e-06 -4e-07 0.0 ] [ 1.52e-05 3.87e-05 -4.87e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.467351996032e-14 -4.56620336928e-14 -2.227025502912e-14 ] [ 2.531439060864e-14 -3.701027994048e-14 -3.396614436096001e-14 ] [ 2.88391791744e-15 5.351269913472e-14 7.001511832895999e-14 ] [ -1.377871893888e-14 -3.220375007808e-14 6.4087064832e-14 ] [ -1.409915426304e-14 -6.408706483200001e-16 0.0 ] [ 2.435308463616e-14 6.200423522496e-14 -7.802600143296e-14 ] ] } "relaxed-potential-energy" { "source-value" -23.902638 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.829624777904567e-18 } }