{ "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" [ [ 2.69276 0.7489354 1.12344 ] [ 2.32609 2.279725 3.013569 ] [ 2.388377 0.2175567 3.770382 ] [ 2.168931 2.205605 5.63033 ] [ 4.69019 0.7206414 2.589749 ] [ 3.957875 2.675588 1.380487 ] [ 4.50812 1.505291 4.661584 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.69276e-10 7.489354e-11 1.12344e-10 ] [ 2.32609e-10 2.279725e-10 3.013569e-10 ] [ 2.388377e-10 2.175567e-11 3.770382e-10 ] [ 2.168931e-10 2.205605e-10 5.63033e-10 ] [ 4.690190000000001e-10 7.206414e-11 2.589749e-10 ] [ 3.957875e-10 2.675588e-10 1.380487e-10 ] [ 4.50812e-10 1.505291e-10 4.661584000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.7593571 -4.0314926 -0.1842404 ] [ -2.673468 3.409301 4.0152038 ] [ 2.0777569 0.044474 -0.2645376 ] [ 2.0729998 -1.8278912 -3.0029072 ] [ 1.7511043 -3.0410377 0.2871792 ] [ 3.0868698 4.4996453 -2.4689653 ] [ -3.5559056 0.9470012 1.6182674 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.420977470482e-09 -6.459163243863907e-09 -2.951856639188135e-10 ] [ -4.283367961346712e-09 5.462302400472834e-09 6.433065709108009e-09 ] [ 3.328933556312274e-09 7.1255203620516e-11 -4.238359615344383e-10 ] [ 3.321311841846672e-09 -2.92860457013422e-09 -4.811187749910364e-09 ] [ 2.805578393156926e-09 -4.872279546053101e-09 4.601118040108128e-10 ] [ 4.945710665760254e-09 7.20922656094792e-09 -3.955718513816799e-09 ] [ -5.69718886502975e-09 1.517263195009961e-09 2.592750215843931e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.086164 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.538593589549197e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4518977 0.7577447 1.379875 ] [ 2.4076333 2.5934131 3.114192 ] [ 2.5941667 0.1254383 3.780838 ] [ 2.002105 1.8708253 5.5561569 ] [ 4.7283802 0.50652 2.4887504 ] [ 4.1943249 2.6672849 1.3143191 ] [ 4.3538351 1.8321161 4.5354095 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4518977e-10 7.577447000000001e-11 1.379875e-10 ] [ 2.4076333e-10 2.5934131e-10 3.114192e-10 ] [ 2.5941667e-10 1.254383e-11 3.780838e-10 ] [ 2.002105e-10 1.8708253e-10 5.5561569e-10 ] [ 4.728380200000001e-10 5.0652e-11 2.4887504e-10 ] [ 4.1943249e-10 2.6672849e-10 1.3143191e-10 ] [ 4.353835100000001e-10 1.8321161e-10 4.5354095e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8.31e-05 -1.93e-05 3e-06 ] [ 2.25e-05 1.48e-05 0.0001119 ] [ 2.82e-05 -5.91e-05 -3.61e-05 ] [ -6.4e-06 5.88e-05 -6.92e-05 ] [ 7.19e-05 2.1e-06 5.82e-05 ] [ 7.8e-06 3.23e-05 -3.35e-05 ] [ -4.1e-05 -2.98e-05 -3.43e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.331408782854e-13 -3.09220090362e-14 4.806529901999999e-15 ] [ 3.6048974265e-14 2.37122141832e-14 1.792835653446e-13 ] [ 4.51813810788e-14 -9.468863906939999e-14 -5.783857648740001e-14 ] [ -1.02539304576e-14 9.420798607919999e-14 -1.108706230728e-13 ] [ 1.151964999846e-13 3.364570931399999e-15 9.324668009879999e-14 ] [ 1.24969777452e-14 5.17503052782e-14 -5.367291723899999e-14 ] [ -6.568924199399999e-14 -4.77448636932e-14 -5.49546585462e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.711622 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.959238335664034e-18 } }