{ "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" [ [ 2.930378 5.180054 2.851976 ] [ 5.738994 3.052967 1.218676 ] [ 3.217774 2.94037 2.40806 ] [ 5.439965 2.572298 3.526756 ] [ 4.050256 4.656384 1.057411 ] [ 5.133306 4.977378 3.451883 ] [ 3.497867 4.079859 4.731393 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.930378e-10 5.180054e-10 2.851976e-10 ] [ 5.738994e-10 3.052967000000001e-10 1.218676e-10 ] [ 3.217774e-10 2.94037e-10 2.40806e-10 ] [ 5.439965e-10 2.572298e-10 3.526756e-10 ] [ 4.050256e-10 4.656384e-10 1.057411e-10 ] [ 5.133306e-10 4.977378e-10 3.451883e-10 ] [ 3.497867e-10 4.079859e-10 4.731393e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -36.0104895 32.7944814 7.2458424 ] [ 6.5655996 -3.4672128 -5.7881328 ] [ -4.8031461 -25.103311 4.8568734 ] [ 0.0847522 -4.0797181 5.535595 ] [ 15.0376866 7.116894 -35.8893477 ] [ 31.0746173 11.5479274 -7.2256823 ] [ -11.9490201 -18.8090609 31.264852 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.769516485580234e-08 5.25425518232276e-08 1.160911938692648e-08 ] [ 1.051925026731975e-08 -5.555087333265715e-09 -9.273611126648994e-09 ] [ -7.695488451108227e-09 -4.021993832023518e-08 7.781569075776135e-09 ] [ 1.357879945200948e-10 -6.536429013126874e-09 8.86900096428723e-09 ] [ 2.40930300999349e-08 1.14025212734548e-08 -5.750107429444164e-08 ] [ 4.978702574855216e-08 1.850181945140837e-08 -1.157681934576738e-08 ] [ -1.914444080341634e-08 -3.013543788146301e-08 5.009181533986817e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -6.3427037 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.016213166452535e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5582318 5.4919293 2.9683024 ] [ 6.1539774 2.8018722 0.9692415 ] [ 2.8932553 2.8169739 2.4950946 ] [ 5.3900023 2.6216032 3.416451 ] [ 4.283994 4.5636879 1.0336823 ] [ 5.2510417 5.2864493 3.4134319 ] [ 3.4780375 3.8767941 4.9499512 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5582318e-10 5.4919293e-10 2.9683024e-10 ] [ 6.1539774e-10 2.8018722e-10 9.692415e-11 ] [ 2.8932553e-10 2.8169739e-10 2.4950946e-10 ] [ 5.3900023e-10 2.6216032e-10 3.416451e-10 ] [ 4.283994e-10 4.5636879e-10 1.0336823e-10 ] [ 5.2510417e-10 5.2864493e-10 3.4134319e-10 ] [ 3.4780375e-10 3.8767941e-10 4.9499512e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.53e-05 -2.37e-05 2.37e-05 ] [ 3.93e-05 -1.5e-06 8.4e-06 ] [ 1.4e-06 5.29e-05 -2.9e-05 ] [ -6.5e-06 -2.95e-05 4.9e-06 ] [ -4.75e-05 -2.81e-05 2.43e-05 ] [ -2.88e-05 1.36e-05 -9.2e-06 ] [ 1.68e-05 1.64e-05 -2.31e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.053506884019999e-14 -3.79715862258e-14 3.79715862258e-14 ] [ 6.29655417162e-14 -2.403264951e-15 1.34582837256e-14 ] [ 2.2430472876e-15 8.475514393859999e-14 -4.6463122386e-14 ] [ -1.0414148121e-14 -4.726421070299999e-14 7.850665506599998e-15 ] [ -7.6103390115e-14 -4.50211634154e-14 3.893289220619999e-14 ] [ -4.614268705919999e-14 2.17896022224e-14 -1.47400250328e-14 ] [ 2.691656745119999e-14 2.62756967976e-14 -3.70102802454e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.58405 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.93879904790877e-18 } }