{ "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" [ [ 1.899847 1.906187 1.523281 ] [ 1.884769 1.70171 3.709853 ] [ 2.49478 3.91064 2.644859 ] [ 3.453021 0.2240813 2.013003 ] [ 4.505277 2.817941 2.046258 ] [ 4.372743 1.259433 3.808578 ] [ 3.775648 3.545824 4.38804 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.899847e-10 1.906187e-10 1.523281e-10 ] [ 1.884769e-10 1.70171e-10 3.709853e-10 ] [ 2.49478e-10 3.91064e-10 2.644859e-10 ] [ 3.453021e-10 2.240813e-11 2.013003e-10 ] [ 4.505277e-10 2.817941e-10 2.046258e-10 ] [ 4.372743e-10 1.259433e-10 3.808578e-10 ] [ 3.775648e-10 3.545824e-10 4.38804e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.1777625 -0.2813307 -2.8686442 ] [ -0.538936 -0.614418 3.4162456 ] [ -1.583255 1.9303442 -1.7562793 ] [ -0.0684481 -0.594641 -1.1387601 ] [ 0.9712366 -0.0168079 -1.5016544 ] [ 0.4043749 -0.1557339 1.416632 ] [ 0.9927901 -0.2674128 2.4324604 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.8480692155496e-10 -4.507414702532985e-10 -4.596074670633519e-09 ] [ -8.634706593074688e-10 -9.844061549986946e-10 5.473428831230868e-09 ] [ -2.536654145764704e-09 3.092752347336879e-09 -2.81386963405499e-09 ] [ -1.096659455581805e-10 -9.527199079691326e-10 -1.82449480891987e-09 ] [ 1.556092573785281e-09 -2.692922442474432e-11 -2.405915572201452e-09 ] [ 6.478800108183379e-10 -2.495132136460052e-10 2.269694670677146e-09 ] [ 1.590625087581694e-09 -4.284425362626662e-10 3.897231183901816e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.979646 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.201092171306024e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.681643 1.8876611 1.9847679 ] [ 1.7459971 1.5350701 4.2740165 ] [ 2.9634084 3.8738426 2.2247634 ] [ 3.6767051 0.7109854 1.6716632 ] [ 4.8577631 2.72131 1.5881169 ] [ 4.2238556 1.2345519 3.9160722 ] [ 3.2367127 3.4023952 4.474472 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.681643e-10 1.8876611e-10 1.9847679e-10 ] [ 1.7459971e-10 1.5350701e-10 4.2740165e-10 ] [ 2.9634084e-10 3.8738426e-10 2.2247634e-10 ] [ 3.6767051e-10 7.109854e-11 1.6716632e-10 ] [ 4.8577631e-10 2.72131e-10 1.5881169e-10 ] [ 4.2238556e-10 1.2345519e-10 3.9160722e-10 ] [ 3.2367127e-10 3.4023952e-10 4.474472e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9.4e-06 -1.8e-06 -3.3e-06 ] [ -7e-06 2.26e-05 1.6e-06 ] [ -7.4e-06 -1.21e-05 -6.8e-06 ] [ -1.7e-06 4.44e-05 3.28e-05 ] [ -1.34e-05 -2.31e-05 2.43e-05 ] [ 3.1e-05 -1.29e-05 -3.8e-05 ] [ -1.09e-05 -1.72e-05 -1.07e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.506046023552e-14 -2.88391791744e-15 -5.28718284864e-15 ] [ -1.12152363456e-14 3.620919163008e-14 2.56348259328e-15 ] [ -1.185610699392e-14 -1.938633711168e-14 -1.089480102144e-14 ] [ -2.72370025536e-15 7.113664196352e-14 5.255139316223999e-14 ] [ -2.146916671872e-14 -3.701027994048e-14 3.893289188544e-14 ] [ 4.96674752448e-14 -2.066807840832e-14 -6.08827115904e-14 ] [ -1.746372516672e-14 -2.755743787776e-14 -1.714328984256e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.30335 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.573390593551968e-18 } }