{ "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" [ [ 0.421878 2.270641 0.131256 ] [ 0.1151872 2.83342 1.501847 ] [ 1.874433 0.2983712 0.2433776 ] [ 2.499725 0.6406393 2.506935 ] [ 1.789352 2.803582 2.39627 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.21878e-11 2.270641e-10 1.31256e-11 ] [ 1.151872e-11 2.83342e-10 1.501847e-10 ] [ 1.874433e-10 2.983712e-11 2.433776e-11 ] [ 2.499725e-10 6.406393e-11 2.506935e-10 ] [ 1.789352e-10 2.803582e-10 2.39627e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 326.755713 -551.9504633 -890.1048953 ] [ -186.5591826 348.2144411 879.7136359 ] [ -149.5952968 196.4499806 -13.182795 ] [ -1.590727 14.0442086 7.5383019 ] [ 10.9894934 -6.758167 16.0357525 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.2352036839461e-07 -8.843221354247345e-07 -1.426105265058676e-06 ] [ -2.989007632198594e-07 5.579010411517892e-07 1.409456632050163e-06 ] [ -2.39678089089255e-07 3.147475686670733e-07 -2.112116611981203e-08 ] [ -2.548625630472918e-09 2.250130286194185e-08 1.20776911642178e-08 ] [ 1.760710954497721e-08 -1.082777725606988e-08 2.569210796410708e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 230.94299 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.700114623640957e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.0401083 1.8950352 -0.6493052 ] [ -0.1915577 3.590623 1.5884825 ] [ 1.941787 -0.0890152 -0.0283856 ] [ 2.9983417 0.4940973 2.5175667 ] [ 1.9118959 2.9559131 3.3513273 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.01083e-12 1.8950352e-10 -6.493052e-11 ] [ -1.915577e-11 3.590623e-10 1.5884825e-10 ] [ 1.941787e-10 -8.90152e-12 -2.83856e-12 ] [ 2.9983417e-10 4.940973000000001e-11 2.5175667e-10 ] [ 1.9118959e-10 2.9559131e-10 3.3513273e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.19e-05 -1.16e-05 1.12e-05 ] [ 1.18e-05 5.23e-05 2.2e-06 ] [ 1.51e-05 2.1e-06 2.93e-05 ] [ 4.59e-05 -4.65e-05 -3.48e-05 ] [ -6.09e-05 3.7e-06 -7.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.90659019446e-14 -1.85852489544e-14 1.79443783008e-14 ] [ 1.89056842812e-14 8.379383795819998e-14 3.5247885948e-15 ] [ 2.41928671734e-14 3.364570931399999e-15 4.69437753762e-14 ] [ 7.353990750059999e-14 -7.450121348099999e-14 -5.575574686319999e-14 ] [ -9.757255701059999e-14 5.9280535458e-15 -1.26571954086e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.190057 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.953062449252814e-18 } }