{ "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" [ [ 0.7955699 1.924478 0.0578634 ] [ 0.2789322 2.342777 2.34838 ] [ 2.533834 0.6960937 0.5593318 ] [ 1.694509 0.4311754 2.932881 ] [ 2.816233 2.726519 1.407602 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.955699e-11 1.924478e-10 5.786340000000001e-12 ] [ 2.789322e-11 2.342777e-10 2.34838e-10 ] [ 2.533834e-10 6.960937e-11 5.593318000000001e-11 ] [ 1.694509e-10 4.311754e-11 2.932881e-10 ] [ 2.816233e-10 2.726519e-10 1.407602e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.5579172 -2.2726212 -4.7303262 ] [ -1.7379815 0.9190576 0.9464563 ] [ -0.1142384 -1.0431078 -0.0127083 ] [ -0.034264 -2.5678023 1.1136581 ] [ 7.4444012 4.9644737 2.6829202 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.904765071546703e-09 -3.641140584573041e-09 -7.57881810883801e-09 ] [ -2.784553349624271e-09 1.472492612020118e-09 1.516390168962094e-09 ] [ -1.830300951855456e-10 -1.671242943903145e-09 -2.03609413178622e-11 ] [ -5.4896980187376e-11 -4.114072845791458e-09 1.784276986084835e-09 ] [ 1.192724565676156e-08 7.953963762247524e-09 4.298512055326606e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.4134132 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.347977404122717e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.3223093 1.6348279 -0.1277222 ] [ 0.6215684 2.5205085 2.2881494 ] [ 2.6260629 0.7279089 0.6342739 ] [ 1.4884043 0.1547149 2.8898454 ] [ 3.0607332 3.0830829 1.6215118 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.223093e-11 1.6348279e-10 -1.277222e-11 ] [ 6.215684e-11 2.5205085e-10 2.2881494e-10 ] [ 2.6260629e-10 7.279089e-11 6.342739e-11 ] [ 1.4884043e-10 1.547149e-11 2.8898454e-10 ] [ 3.0607332e-10 3.0830829e-10 1.6215118e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0 5e-07 1e-07 ] [ -5e-07 -8e-07 -0.0 ] [ 4e-07 5e-07 0.0 ] [ -2e-07 3e-07 4e-07 ] [ 3e-07 -5e-07 -5e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 8.010883169999999e-16 1.602176634e-16 ] [ -8.010883169999999e-16 -1.2817413072e-15 0.0 ] [ 6.408706536e-16 8.010883169999999e-16 0.0 ] [ -3.204353268e-16 4.806529901999999e-16 6.408706536e-16 ] [ 4.806529901999999e-16 -8.010883169999999e-16 -8.010883169999999e-16 ] ] } "relaxed-potential-energy" { "source-value" -12.025254 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.926658097671503e-18 } }