{ "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" [ [ 2.539099 2.604661 3.099024 ] [ 2.611969 4.601789 1.586924 ] [ 4.376067 2.909228 1.297188 ] [ 4.596034 1.971363 3.954157 ] [ 4.509814 4.398854 3.387028 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.539099e-10 2.604661e-10 3.099024e-10 ] [ 2.611969e-10 4.601789e-10 1.586924e-10 ] [ 4.376067e-10 2.909228e-10 1.297188e-10 ] [ 4.596034e-10 1.971363e-10 3.954157e-10 ] [ 4.509814000000001e-10 4.398854e-10 3.387028e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.6151375 0.0975343 -0.5049218 ] [ 0.7756074 -0.4093188 0.7258158 ] [ -0.2117645 0.0805876 0.9535752 ] [ 0.3842905 0.8098884 -0.5630802 ] [ -0.3329958 -0.5786915 -0.6113891 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.8555892107736e-10 1.562671751860935e-10 -8.089739032922534e-10 ] [ 1.242660043199474e-09 -6.55801011813911e-10 1.162885105767249e-09 ] [ -3.392841310154016e-10 1.291155686463821e-10 1.527795891614684e-09 ] [ 6.157012546955424e-10 1.297584259937119e-09 -9.021539320753882e-10 ] [ -5.335180855845927e-10 -9.271659919556833e-10 -9.795533222319532e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -12.736025 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.040536149692432e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3146898 2.2919172 2.7686395 ] [ 2.6976414 4.5459641 2.0351143 ] [ 4.3689663 2.7962224 1.4608351 ] [ 4.4343675 2.2988716 3.8966282 ] [ 4.8173181 4.5529197 3.1631038 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3146898e-10 2.2919172e-10 2.7686395e-10 ] [ 2.6976414e-10 4.5459641e-10 2.0351143e-10 ] [ 4.3689663e-10 2.7962224e-10 1.4608351e-10 ] [ 4.4343675e-10 2.2988716e-10 3.8966282e-10 ] [ 4.817318099999999e-10 4.552919700000001e-10 3.1631038e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.21e-05 1.14e-05 -3.4e-06 ] [ 6.1e-06 -1e-05 5e-06 ] [ -1.02e-05 2.9e-06 1.86e-05 ] [ -8.1e-06 1.41e-05 -1.65e-05 ] [ -1e-05 -1.84e-05 -3.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.540810331968e-14 1.826481347712e-14 -5.44740051072e-15 ] [ 9.77327738688e-15 -1.6021766208e-14 8.010883104e-15 ] [ -1.634220153216e-14 4.646312200320001e-15 2.980048514688e-14 ] [ -1.297763062848e-14 2.259069035328e-14 -2.64359142432e-14 ] [ -1.6021766208e-14 -2.948004982272e-14 -5.928053496960001e-15 ] ] } "relaxed-potential-energy" { "source-value" -13.9991 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.242903073224128e-18 } }