{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 5.41665 5.053714 4.828781 4.665356 4.536923 4.431109 4.341127 4.26285 4.193581 4.131458 4.075145 4.023647 3.976204 3.932225 3.891238 3.852862 3.816784 3.782744 3.750524 3.719939 3.690832 3.663066 3.636523 3.6111 3.593792 3.575577 3.556353 3.536003 3.514385 3.491332 3.466639 3.440056 3.411268 3.379876 3.345363 3.307037 3.263952 3.214755 3.15742 3.088712 3.002974 2.88888 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.41665e-10 5.053714e-10 4.828781e-10 4.665356000000001e-10 4.536923e-10 4.431109e-10 4.3411270000000005e-10 4.2628500000000004e-10 4.193581e-10 4.131458e-10 4.075145e-10 4.0236470000000004e-10 3.9762040000000004e-10 3.932225e-10 3.891238e-10 3.852862e-10 3.8167840000000003e-10 3.7827440000000004e-10 3.750524e-10 3.7199390000000003e-10 3.690832e-10 3.6630660000000005e-10 3.636523e-10 3.6111e-10 3.593792e-10 3.575577e-10 3.5563530000000003e-10 3.536003e-10 3.514385e-10 3.491332e-10 3.4666389999999997e-10 3.440056e-10 3.4112680000000005e-10 3.379876e-10 3.3453629999999997e-10 3.307037e-10 3.2639520000000005e-10 3.2147549999999997e-10 3.15742e-10 3.088712e-10 3.0029740000000004e-10 2.88888e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 1.41981 1.87769 2.2217 2.50152 2.73783 2.94164 3.1197 3.27648 3.41518 3.53816 3.64726 3.7439 3.83678 3.92154 3.98794 4.04512 4.09404 4.13522 4.16913 4.19615 4.21666 4.23096 4.23936 4.2421 4.24077 4.23637 4.22821 4.21536 4.19667 4.17061 4.13516 4.08762 4.02423 3.93975 3.82661 3.67346 3.46275 3.16579 2.73275 2.06941 0.975333 -1.05972 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.27478640671954e-19 3.00839104389546e-19 3.5595558277577994e-19 4.00787689348368e-19 4.3864872538642205e-19 4.71302687363976e-19 4.998310445089799e-19 5.249499697768319e-19 5.4717215969041195e-19 5.668757279353439e-19 5.84355475012284e-19 5.9983891000326e-19 6.14719926579852e-19 6.282999757296359e-19 6.38938428579396e-19 6.48099674572608e-19 6.55937522666136e-19 6.62535286044948e-19 6.679682670108419e-19 6.7229734827591e-19 6.75583412552244e-19 6.778745251388639e-19 6.792203535114239e-19 6.796593499091399e-19 6.79446260416818e-19 6.78741302697858e-19 6.77433926564514e-19 6.75375129589824e-19 6.723806614608779e-19 6.68205389152674e-19 6.62525672985144e-19 6.54908925267108e-19 6.44752727584182e-19 6.3121753938015e-19 6.13090512943074e-19 5.885531777933639e-19 5.5479371393835e-19 5.072154766150859e-19 4.378348196563499e-19 3.3155603481659396e-19 1.562655742969122e-19 -1.69785862258248e-19 ] } }