{ "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" [ [ 2.22663 4.731229 3.098836 ] [ 1.847326 3.342651 1.125175 ] [ 3.745505 4.563816 1.476664 ] [ 4.096158 4.449552 3.85515 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.22663e-10 4.731229e-10 3.098836e-10 ] [ 1.847326e-10 3.342651e-10 1.125175e-10 ] [ 3.745505e-10 4.563816e-10 1.476664e-10 ] [ 4.096158e-10 4.449552e-10 3.85515e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.8492604 1.0247468 0.5560749 ] [ -0.3715466 -0.1843108 -0.0822589 ] [ 2.8113532 -0.0651774 -3.1902351 ] [ 5.4094538 -0.7752587 2.7164191 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.257590150345126e-08 1.641825365199613e-09 8.90930204193698e-10 ] [ -5.952832760577293e-10 -2.952984547209447e-10 -1.317932864327251e-10 ] [ 4.504284369851267e-09 -1.044257064845299e-10 -5.111320092075551e-09 ] [ 8.666900409657718e-09 -1.242101364211801e-09 4.352183174314577e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.5252867 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.365901503635719e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7568319 4.3838719 3.4478047 ] [ 1.9377825 3.8083341 1.2363931 ] [ 4.2009795 4.1597501 1.3301095 ] [ 4.020025 4.7352919 3.5415177 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7568319e-10 4.3838719e-10 3.4478047e-10 ] [ 1.9377825e-10 3.8083341e-10 1.2363931e-10 ] [ 4.2009795e-10 4.1597501e-10 1.3301095e-10 ] [ 4.020025000000001e-10 4.7352919e-10 3.5415177e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.84e-05 -4.9e-06 -4.07e-05 ] [ 1.57e-05 -2.2e-06 -8.7e-06 ] [ -6.86e-05 -3.9e-06 1.41e-05 ] [ 2.44e-05 1.1e-05 3.52e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.550181603071999e-14 -7.850665441919999e-15 -6.520858846656e-14 ] [ 2.515417294656e-14 -3.52478856576e-15 -1.393893660096e-14 ] [ -1.0990931618688e-13 -6.24848882112e-15 2.259069035328e-14 ] [ 3.909310954752e-14 1.76239428288e-14 5.639661705216e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.238204 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.800558770858104e-18 } }