{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.43906 1.00085 1.609326 ] [ 1.205531 2.018769 3.811036 ] [ 1.566383 3.683465 1.956037 ] [ 3.913976 1.646449 1.998722 ] [ 3.334697 0.9502568 4.182978 ] [ 3.589337 3.768444 1.401362 ] [ 3.236168 3.404887 3.941176 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.43906e-10 1.00085e-10 1.609326e-10 ] [ 1.205531e-10 2.018769e-10 3.811036e-10 ] [ 1.566383e-10 3.683465e-10 1.956037e-10 ] [ 3.913976e-10 1.646449e-10 1.998722e-10 ] [ 3.334697e-10 9.502568000000001e-11 4.182978000000001e-10 ] [ 3.589337e-10 3.768444e-10 1.401362e-10 ] [ 3.236168e-10 3.404887e-10 3.941176e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.721515 1.3037065 0.1820037 ] [ -0.4433688 -0.1693059 -0.1000919 ] [ -4.9337516 -1.3216933 1.4992065 ] [ -0.2235324 -2.2795711 -0.0853404 ] [ 0.0159616 0.0291727 0.804162 ] [ 4.550358 2.4016175 -0.9734435 ] [ 0.3128183 0.0360735 -1.3264964 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.15599447408051e-09 2.088768091893921e-09 2.916020754415457e-10 ] [ -7.103551316046192e-10 -2.712579569783406e-10 -1.603649034326646e-10 ] [ -7.904741531480112e-09 -2.117586122574352e-09 2.401993623840921e-09 ] [ -3.581383882219415e-10 -3.652275551961677e-09 -1.367303948162136e-10 ] [ 2.55733025612544e-11 4.673981829069179e-11 1.288409566350708e-09 ] [ 7.290477263934972e-09 3.847815442305495e-09 -1.559628430219179e-09 ] [ 5.011901709476021e-10 5.779611880659899e-11 -2.125281537165117e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.799231 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.332404191336845e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.3595021 1.1858491 1.4483761 ] [ 1.2477484 1.8456667 3.7948606 ] [ 1.4517092 3.5635858 1.9884695 ] [ 3.6941527 1.5032674 2.0138516 ] [ 3.4865674 1.074455 4.4004083 ] [ 3.8184671 3.8699988 1.460909 ] [ 3.2270052 3.4302981 3.7937619 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3595021e-10 1.1858491e-10 1.4483761e-10 ] [ 1.2477484e-10 1.8456667e-10 3.7948606e-10 ] [ 1.4517092e-10 3.5635858e-10 1.9884695e-10 ] [ 3.6941527e-10 1.5032674e-10 2.0138516e-10 ] [ 3.4865674e-10 1.074455e-10 4.4004083e-10 ] [ 3.8184671e-10 3.8699988e-10 1.460909e-10 ] [ 3.2270052e-10 3.4302981e-10 3.7937619e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4e-06 2.76e-05 2.48e-05 ] [ 0.0001179 -4.04e-05 -7.09e-05 ] [ 2.17e-05 -1.54e-05 -1.24e-05 ] [ -0.0001325 5.46e-05 0.0001099 ] [ -5.8e-06 -2.7e-06 2.31e-05 ] [ 2.45e-05 4.12e-05 -4.67e-05 ] [ -2.17e-05 -6.49e-05 -2.79e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.408706535999999e-15 4.42200750984e-14 3.97339805232e-14 ] [ 1.888966251486e-13 -6.472793601359999e-14 -1.135943233506e-13 ] [ 3.476723295779999e-14 -2.46735201636e-14 -1.98669902616e-14 ] [ -2.12288404005e-13 8.74788442164e-14 1.760792120766e-13 ] [ -9.2926244772e-15 -4.3258769118e-15 3.70102802454e-14 ] [ 3.925332753299999e-14 6.600967732079998e-14 -7.482164880779999e-14 ] [ -3.476723295779999e-14 -1.039812635466e-13 -4.470072808859999e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.221889 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.560339131914162e-18 } }