{ "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" [ [ -15.0199413 -16.3559946 5.6843298 ] [ -11.8133107 2.6314835 -24.2671126 ] [ -7.4856211 14.4832438 29.774157 ] [ 18.0369736 -12.7181982 -16.0197851 ] [ 16.2818994 11.9594655 4.8284109 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.406459879664836e-08 -2.620519215805105e-08 9.10730031047674e-09 ] [ -1.892701021778648e-08 4.216101341720956e-09 -3.888020046204111e-08 ] [ -1.199328711858718e-08 2.320471460970655e-08 4.770345824942866e-08 ] [ 2.889841741190681e-08 -2.037679981474064e-08 -2.566652515746019e-08 ] [ 2.608647856089755e-08 1.916117602136418e-08 7.735967059595887e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 12.053444 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.931174617692204e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.5233556 -0.6071228 1.5163308 ] [ 0.739755 1.2000263 0.698329 ] [ 1.2388993 2.6705989 2.4642911 ] [ 2.7399798 0.396522 -0.2417972 ] [ 3.4933163 3.3253838 2.3256924 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.233556000000001e-11 -6.071228e-11 1.5163308e-10 ] [ 7.397550000000001e-11 1.2000263e-10 6.98329e-11 ] [ 1.2388993e-10 2.6705989e-10 2.4642911e-10 ] [ 2.7399798e-10 3.96522e-11 -2.417972e-11 ] [ 3.4933163e-10 3.3253838e-10 2.3256924e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.9e-05 1.24e-05 -8.7e-06 ] [ -1.15e-05 -5.4e-06 5.1e-06 ] [ -5.1e-06 -4.7e-06 -3.8e-06 ] [ -1.02e-05 -9.6e-06 1.1e-06 ] [ 7.8e-06 7.3e-06 6.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.04413557952e-14 1.986699009792e-14 -1.393893660096e-14 ] [ -1.84250311392e-14 -8.65175375232e-15 8.17110076608e-15 ] [ -8.17110076608e-15 -7.53023011776e-15 -6.08827115904e-15 ] [ -1.634220153216e-14 -1.538089555968e-14 1.76239428288e-15 ] [ 1.249697764224e-14 1.169588933184e-14 1.009371271104e-14 ] ] } "relaxed-potential-energy" { "source-value" -8.6728 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.389535739687424e-18 } }