{ "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" [ [ 1.232696 1.429874 2.018017 ] [ 2.664166 0.3933008 4.008788 ] [ 2.480457 2.487888 4.841749 ] [ 1.659099 3.474448 2.765735 ] [ 4.127261 1.03872 2.31822 ] [ 4.538799 1.714568 4.545045 ] [ 3.952007 3.51716 3.378238 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.232696e-10 1.429874e-10 2.018017e-10 ] [ 2.664166e-10 3.933008e-11 4.008788e-10 ] [ 2.480457e-10 2.487888e-10 4.841749e-10 ] [ 1.659099e-10 3.474448e-10 2.765735e-10 ] [ 4.127261e-10 1.03872e-10 2.31822e-10 ] [ 4.538799e-10 1.714568e-10 4.545045e-10 ] [ 3.952007e-10 3.51716e-10 3.378238e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.506351 -2.4599902 -5.1573792 ] [ -12.2117809 -16.7932563 1.3203064 ] [ -16.6197886 6.3104718 21.8480839 ] [ -6.5143107 4.8433641 -4.5891643 ] [ 8.2582253 -8.8113156 -17.6077666 ] [ 21.9724275 -2.5854632 12.5592642 ] [ 9.6215785 19.4961894 -8.3733446 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.219970217318702e-09 -3.941338785837116e-09 -8.263032378840207e-09 ] [ -1.956542985631198e-08 -2.690576263096231e-08 2.115364046372613e-09 ] [ -2.662783673755836e-08 1.011049038417769e-08 3.500448923385689e-08 ] [ -1.043707630416728e-08 7.759924727042034e-09 -7.352651750469999e-09 ] [ 1.323113550495907e-08 -1.411728385281032e-08 -2.821075199102311e-08 ] [ 3.520370964272299e-08 -4.142368692978755e-09 2.012215947569042e-08 ] [ 1.541546812789193e-08 3.123633885136878e-08 -1.341557695602193e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 7.6261824 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.221849114723643e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.1090783 1.6902138 1.9096462 ] [ 2.1309086 0.1444657 3.4657806 ] [ 2.4004526 2.0395281 5.1153801 ] [ 1.6991039 3.6077913 3.2623425 ] [ 4.5104612 0.2271677 3.0346067 ] [ 4.7719879 2.2860536 4.2786381 ] [ 4.0324924 4.0607386 2.8093978 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1090783e-10 1.6902138e-10 1.9096462e-10 ] [ 2.1309086e-10 1.444657e-11 3.4657806e-10 ] [ 2.4004526e-10 2.0395281e-10 5.1153801e-10 ] [ 1.6991039e-10 3.6077913e-10 3.2623425e-10 ] [ 4.5104612e-10 2.271677e-11 3.0346067e-10 ] [ 4.771987900000001e-10 2.2860536e-10 4.2786381e-10 ] [ 4.0324924e-10 4.0607386e-10 2.8093978e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.43e-05 -6.5e-06 8e-06 ] [ -1.81e-05 1e-07 1.62e-05 ] [ 2.8e-06 4.4e-06 -1.92e-05 ] [ 1.97e-05 -2.39e-05 -3.4e-06 ] [ -1.75e-05 3.29e-05 -2.68e-05 ] [ 0.0 8.9e-06 1.96e-05 ] [ -1.2e-06 -1.59e-05 5.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.291112567744e-14 -1.04141480352e-14 1.28174129664e-14 ] [ -2.899939683648e-14 1.6021766208e-16 2.595526125696e-14 ] [ 4.48609453824e-15 7.04957713152e-15 -3.076179111936e-14 ] [ 3.156287942976e-14 -3.829202123712e-14 -5.44740051072e-15 ] [ -2.8038090864e-14 5.271161082432e-14 -4.293833343744e-14 ] [ 0.0 1.425937192512e-14 3.140266176767999e-14 ] [ -1.92261194496e-15 -2.547460827072e-14 8.8119714144e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.457688 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.797029956682071e-18 } }