{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0860864 0.538431 2.860344 ] [ 1.041136 2.407951 2.676466 ] [ 1.788037 0.0757738 1.548631 ] [ 2.92783 1.815427 0.7969909 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.60864e-12 5.38431e-11 2.860344e-10 ] [ 1.041136e-10 2.407951e-10 2.676466e-10 ] [ 1.788037e-10 7.577380000000001e-12 1.548631e-10 ] [ 2.92783e-10 1.815427e-10 7.969909e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.1010459 -1.4640684 1.0991256 ] [ 0.4676623 3.6160001 0.57009 ] [ 1.3664223 -2.8468382 -1.5527701 ] [ 0.2669613 0.6949065 -0.1164456 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.366246620207695e-09 -2.345696161732063e-09 1.760993339642772e-09 ] [ 7.492776034895558e-10 5.793470821030462e-09 9.133848697518721e-10 ] [ 2.189249863199764e-09 -4.561137607240354e-09 -2.487811951697278e-09 ] [ 4.277191535183751e-10 1.113362947941955e-09 -1.865664179150285e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -8.4058709 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.346768983344305e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.1769683 0.5294904 2.8715788 ] [ 1.088292 2.7526603 2.6044635 ] [ 1.833275 -0.3338747 1.3367802 ] [ 2.7445542 1.8893068 1.0696095 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.769683e-11 5.294904e-11 2.8715788e-10 ] [ 1.088292e-10 2.7526603e-10 2.6044635e-10 ] [ 1.833275e-10 -3.338747e-11 1.3367802e-10 ] [ 2.7445542e-10 1.8893068e-10 1.0696095e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.95e-05 5e-07 -2e-06 ] [ 6.2e-06 -3.45e-05 -4.26e-05 ] [ -3.01e-05 4.1e-05 3.2e-06 ] [ -1.56e-05 -6.9e-06 4.14e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.32859765216e-14 8.010883104e-16 -3.2043532416e-15 ] [ 9.93349504896e-15 -5.52750934176e-14 -6.825272404608e-14 ] [ -4.822551628608e-14 6.56892414528e-14 5.126965186560001e-15 ] [ -2.499395528448e-14 -1.105501868352e-14 6.633011210111999e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.363135 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.660357261519421e-18 } }