{ "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" [ [ 1.155994464556512e-09 2.088768074684995e-09 2.91602073039097e-10 ] [ -7.10355125752151e-10 -2.712579547435028e-10 -1.603649021114515e-10 ] [ -7.904741466354593e-09 -2.117586105128001e-09 2.401993604051396e-09 ] [ -3.581383852713139e-10 -3.652275521871339e-09 -1.367303936897203e-10 ] [ 2.557330235056128e-11 4.673981790561216e-11 1.28840955573577e-09 ] [ 7.290477203870248e-09 3.847815410604144e-09 -1.559628417369725e-09 ] [ 5.011901668184006e-10 5.77961183304288e-11 -2.125281519655365e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.799231 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.332404163881861e-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" [ [ -6.4087064832e-15 4.422007473408001e-14 3.973398019584e-14 ] [ 1.8889662359232e-13 -6.472793548032e-14 -1.1359432241472e-13 ] [ 3.476723267136e-14 -2.467351996032e-14 -1.986699009792e-14 ] [ -2.12288402256e-13 8.747884349568e-14 1.7607921062592e-13 ] [ -9.292624400640001e-15 -4.32587687616e-15 3.701027994048e-14 ] [ 3.92533272096e-14 6.600967677696001e-14 -7.482164819136e-14 ] [ -3.476723267136e-14 -1.0398126268992e-13 -4.470072772032e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.221889 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.560339102581269e-18 } }