{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.635666 1.500837 2.371006 ] [ 1.689283 2.814467 0.5645773 ] [ 2.46942 4.224913 2.374581 ] [ 3.374683 1.495269 0.2101847 ] [ 3.693559 1.840027 2.268425 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.635666e-10 1.500837e-10 2.371006e-10 ] [ 1.689283e-10 2.814467e-10 5.645773e-11 ] [ 2.46942e-10 4.224913e-10 2.374581e-10 ] [ 3.374683e-10 1.495269e-10 2.101847e-11 ] [ 3.693559e-10 1.840027e-10 2.268425e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.6908616 0.1787477 11.4660082 ] [ 6.5505831 -0.3989501 4.2735281 ] [ 1.7426584 -7.6153759 0.4771018 ] [ 8.3508122 -2.678141 -11.5702939 ] [ -7.9531921 10.5137192 -4.6463442 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.392429538484785e-08 2.863853883212418e-10 1.83705704232924e-08 ] [ 1.049519118189528e-08 -6.391885283519633e-10 6.846946866562415e-09 ] [ 2.792046569523826e-09 -1.220117732610672e-08 7.644013559993412e-10 ] [ 1.337947618176213e-08 -4.290854932757394e-09 -1.853765453509273e-08 ] [ -1.274241854833339e-08 1.684483523867717e-08 -7.444264110761422e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.121158 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.781805949062217e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.2706289 1.1686178 2.562036 ] [ 1.593928 2.7492775 0.7386557 ] [ 2.8246154 4.3127705 2.1417314 ] [ 3.6223086 1.6439217 -0.0304839 ] [ 3.5511301 2.0009254 2.3768348 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.2706289e-10 1.1686178e-10 2.562036e-10 ] [ 1.593928e-10 2.7492775e-10 7.386557e-11 ] [ 2.8246154e-10 4.3127705e-10 2.1417314e-10 ] [ 3.622308600000001e-10 1.6439217e-10 -3.04839e-12 ] [ 3.5511301e-10 2.0009254e-10 2.3768348e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.37e-05 -2.29e-05 1.47e-05 ] [ -6.34e-05 3.37e-05 -4.84e-05 ] [ 5.3e-06 9.3e-06 -6e-07 ] [ 1.67e-05 -1.21e-05 -4.84e-05 ] [ 6.51e-05 -8e-06 8.27e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.79715862258e-14 -3.66898449186e-14 2.35519965198e-14 ] [ -1.015779985956e-13 5.399335256579999e-14 -7.754534908559998e-14 ] [ 8.4915361602e-15 1.49002426962e-14 -9.613059803999998e-16 ] [ 2.67563497878e-14 -1.93863372714e-14 -7.754534908559998e-14 ] [ 1.043016988734e-13 -1.2817413072e-14 1.325000076318e-13 ] ] } "relaxed-potential-energy" { "source-value" -16.079847 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.5762755141695e-18 } }