{ "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" [ [ 0.4656555 2.854978 2.130075 ] [ 2.415045 0.7163998 1.216409 ] [ 1.531563 1.029003 2.475027 ] [ 2.019704 2.428405 0.6522284 ] [ 2.764103 2.749341 2.416687 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.656555e-11 2.854978e-10 2.130075e-10 ] [ 2.415045e-10 7.163998000000001e-11 1.216409e-10 ] [ 1.531563e-10 1.029003e-10 2.475027e-10 ] [ 2.019704e-10 2.428405e-10 6.522284e-11 ] [ 2.764103e-10 2.749341e-10 2.416687e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -10.8750368 7.2300899 2.519602 ] [ 31.4078443 -30.6663891 -33.6393508 ] [ -29.8711895 -5.5626829 42.4837588 ] [ -5.675793 17.1031852 -27.0054211 ] [ 15.014175 11.8957969 15.6414111 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.742372971129965e-08 1.158388100406221e-08 4.036847418120922e-09 ] [ 5.032091384718654e-08 -4.913297166037596e-08 -5.389618139064979e-08 ] [ -4.785892145238644e-08 -8.912400491303945e-09 6.806648511306625e-08 ] [ -9.093622849100294e-09 2.740232346865257e-08 -4.326745432127902e-08 ] [ 2.405536016559984e-08 1.905916767896512e-08 2.506030318074161e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 17.480728 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.800721371616394e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.2842228 2.9579524 2.08335 ] [ 2.3393094 0.1636275 0.6945047 ] [ 1.6138792 0.9082772 2.8645789 ] [ 2.1911772 2.5492416 0.4172308 ] [ 2.767482 3.199028 2.8307619 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.842228e-11 2.9579524e-10 2.08335e-10 ] [ 2.3393094e-10 1.636275e-11 6.945047e-11 ] [ 1.6138792e-10 9.082772e-11 2.8645789e-10 ] [ 2.1911772e-10 2.5492416e-10 4.172308e-11 ] [ 2.767482e-10 3.199028e-10 2.8307619e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.1e-06 4.7e-06 5.4e-06 ] [ 6.2e-06 1e-06 -3.9e-06 ] [ 1.3e-06 1.24e-05 -5.2e-06 ] [ -1.9e-06 -8.2e-06 1.26e-05 ] [ -1.16e-05 -1e-05 -8.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.77327738688e-15 7.53023011776e-15 8.65175375232e-15 ] [ 9.93349504896e-15 1.6021766208e-15 -6.24848882112e-15 ] [ 2.08282960704e-15 1.986699009792e-14 -8.33131842816e-15 ] [ -3.04413557952e-15 -1.313784829056e-14 2.018742542208e-14 ] [ -1.858524880128e-14 -1.6021766208e-14 -1.409915426304e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.744302 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.721426947121468e-18 } }