{ "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" [ [ 326.7557336 -551.9505011 -890.1049873 ] [ -186.5592032 348.2144788 879.7137279 ] [ -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" [ [ 5.23520397086273e-07 -8.843221887012648e-07 -1.426105400709541e-06 ] [ -2.989007937621166e-07 5.579010969574173e-07 1.409456767838193e-06 ] [ -2.39678087114597e-07 3.147475660739335e-07 -2.112116594579914e-08 ] [ -2.548625609475322e-09 2.25013026765583e-08 1.207769106471222e-08 ] [ 1.76071093999159e-08 -1.082777716686208e-08 2.569210775243515e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 230.943 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.700114753374144e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.0401083 1.8950351 -0.6493051 ] [ -0.1915576 3.5906231 1.5884824 ] [ 1.941787 -0.0890152 -0.0283856 ] [ 2.9983418 0.4940974 2.5175666 ] [ 1.9118957 2.955913 3.3513274 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.01083e-12 1.8950351e-10 -6.493051e-11 ] [ -1.915576e-11 3.590623100000001e-10 1.5884824e-10 ] [ 1.941787e-10 -8.90152e-12 -2.83856e-12 ] [ 2.9983418e-10 4.940974000000001e-11 2.5175666e-10 ] [ 1.9118957e-10 2.955913e-10 3.3513274e-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" [ [ -1.906590178752e-14 -1.858524880128e-14 1.794437815296e-14 ] [ 1.890568412544e-14 8.379383726784e-14 3.52478856576e-15 ] [ 2.419286697408e-14 3.36457090368e-15 4.694377498944e-14 ] [ 7.353990689472e-14 -7.45012128672e-14 -5.575574640383999e-14 ] [ -9.757255620672e-14 5.928053496960001e-15 -1.265719530432e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.190057 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.953062433161938e-18 } }