{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0780347 0.0112197 1.661349 ] [ 1.004167 1.583481 0.6099477 ] [ 1.186614 2.044688 2.371218 ] [ 2.525789 0.4216906 0.1723184 ] [ 2.89399 2.924329 1.948013 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.80347e-12 1.12197e-12 1.661349e-10 ] [ 1.004167e-10 1.583481e-10 6.099477e-11 ] [ 1.186614e-10 2.044688e-10 2.371218e-10 ] [ 2.525789e-10 4.216906e-11 1.723184e-11 ] [ 2.89399e-10 2.924329e-10 1.948013e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.5030166 -6.4866339 4.0512743 ] [ -5.4679928 3.3217326 -19.8302021 ] [ -5.2597308 3.1659836 21.5525647 ] [ 9.073794 -4.3751523 -4.2733386 ] [ 8.1569462 4.37407 -1.5002982 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.041898124703412e-08 -1.039273326789229e-08 6.490857021384707e-09 ] [ -8.760690299040234e-09 5.322002356116068e-09 -3.177148645211773e-08 ] [ -8.427017788890126e-09 5.072464947547202e-09 3.453101556511322e-08 ] [ 1.453782072852939e-08 -7.009766785251357e-09 -6.846643254090271e-09 ] [ 1.306886860643509e-08 7.00803274948038e-09 -2.403742720072259e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -0.81229687 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.301443064985335e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.0290764 0.1986419 2.3159929 ] [ 0.9396701 0.9963993 0.1283492 ] [ 1.0531542 2.472991 2.1428478 ] [ 2.7142817 0.1094735 -1.025752 ] [ 2.9524123 3.2079025 3.2014081 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.90764e-12 1.986419e-11 2.3159929e-10 ] [ 9.396700999999999e-11 9.963993e-11 1.283492e-11 ] [ 1.0531542e-10 2.472991e-10 2.1428478e-10 ] [ 2.7142817e-10 1.094735e-11 -1.025752e-10 ] [ 2.952412300000001e-10 3.2079025e-10 3.2014081e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.1e-06 -3.5e-06 -2.6e-06 ] [ 1.26e-05 -1.08e-05 -1.61e-05 ] [ 8.6e-06 2.3e-06 1.06e-05 ] [ -1.41e-05 9.8e-06 1.4e-05 ] [ -1.9e-06 2.1e-06 -5.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.1711008334e-15 -5.607618218999999e-15 -4.165659248399999e-15 ] [ 2.01874255884e-14 -1.73035076472e-14 -2.579504380739999e-14 ] [ 1.37787190524e-14 3.685006258199999e-15 1.69830723204e-14 ] [ -2.25906905394e-14 1.57013310132e-14 2.243047287599999e-14 ] [ -3.0441356046e-15 3.364570931399999e-15 -9.452842140600001e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.141118 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.624786230223681e-18 } }