{ "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" [ [ 2.872342 2.592209 3.748836 ] [ 1.410068 4.838391 2.869154 ] [ 2.889421 3.430048 1.520903 ] [ 4.604684 2.417867 2.466033 ] [ 4.898299 2.012755 4.844446 ] [ 5.379024 4.52793 1.309626 ] [ 5.720081 4.239448 3.464417 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.872342e-10 2.592209e-10 3.748836e-10 ] [ 1.410068e-10 4.838391e-10 2.869154e-10 ] [ 2.889421e-10 3.430048e-10 1.520903e-10 ] [ 4.604684e-10 2.417867e-10 2.466033e-10 ] [ 4.898299e-10 2.012755e-10 4.844446e-10 ] [ 5.379024e-10 4.52793e-10 1.309626e-10 ] [ 5.720081000000001e-10 4.239448000000001e-10 3.464417e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.1525783 1.2606068 1.3672166 ] [ 2.0286506 -2.2062276 -0.2287651 ] [ -1.6002359 2.1575876 -0.5031671 ] [ 3.3228415 -1.3391634 -1.2171051 ] [ 0.2686982 0.8237089 -0.2941236 ] [ -1.1399865 -0.2783847 -1.1715304 ] [ 0.2726104 -0.4181277 2.0474748 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.050987247501408e-09 2.019714742981501e-09 2.190522472089665e-09 ] [ 3.250256563091893e-09 -3.534766280883694e-09 -3.665220948749741e-10 ] [ -2.563860546744847e-09 3.456836410047982e-09 -8.061625639757356e-10 ] [ 5.323778965924003e-09 -2.145576290911039e-09 -1.950017336276446e-09 ] [ 4.305019740910426e-10 1.319727141924885e-09 -4.712379555455309e-10 ] [ -1.826459718327619e-09 -4.460214579284218e-10 -1.876998617436472e-09 ] [ 4.367700094669363e-10 -6.699144254488762e-10 3.280416256237156e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.678467 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.473273300218432e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7963994 2.118689 3.4251678 ] [ 2.5767729 4.5742707 3.3001525 ] [ 3.1061043 3.2773361 1.2675307 ] [ 4.8066053 1.836926 2.1502628 ] [ 4.1080753 3.5484536 4.8326425 ] [ 4.5167724 5.0774871 1.9852851 ] [ 5.8631894 3.6254854 3.2623736 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7963994e-10 2.118689e-10 3.4251678e-10 ] [ 2.5767729e-10 4.5742707e-10 3.3001525e-10 ] [ 3.1061043e-10 3.2773361e-10 1.2675307e-10 ] [ 4.806605300000001e-10 1.836926e-10 2.1502628e-10 ] [ 4.108075300000001e-10 3.5484536e-10 4.832642500000001e-10 ] [ 4.5167724e-10 5.0774871e-10 1.9852851e-10 ] [ 5.8631894e-10 3.6254854e-10 3.2623736e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.9e-06 -2.26e-05 6.8e-06 ] [ 9.6e-06 1.69e-05 6.6e-06 ] [ 3.2e-06 6e-07 -9e-07 ] [ 1.03e-05 -1.04e-05 -5.5e-06 ] [ -5.5e-06 4.2e-06 7.4e-06 ] [ 7.6e-06 1.66e-05 -9e-06 ] [ -3.02e-05 -5.2e-06 -5.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.850665441919999e-15 -3.620919163008e-14 1.089480102144e-14 ] [ 1.538089555968e-14 2.707678489152e-14 1.057436569728e-14 ] [ 5.126965186560001e-15 9.6130597248e-16 -1.44195895872e-15 ] [ 1.650241919424e-14 -1.666263685632e-14 -8.8119714144e-15 ] [ -8.8119714144e-15 6.72914180736e-15 1.185610699392e-14 ] [ 1.217654231808e-14 2.659613190528e-14 -1.44195895872e-14 ] [ -4.838573394816e-14 -8.33131842816e-15 -8.65175375232e-15 ] ] } "relaxed-potential-energy" { "source-value" -24.660576 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.951059832266158e-18 } }