{ "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 3.585398 3.558913 3.531593 3.503387 3.474233 3.444066 3.412813 3.380394 3.346716 3.31168 3.27517 3.237057 3.197194 3.155413 3.111519 3.065288 3.016456 2.964713 2.90969 2.850943 2.787931 2.719985 2.646268 2.565707 2.4769 2.377964 2.266287 2.138097 1.987647 1.80555 ] "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 3.585398e-10 3.558913e-10 3.5315930000000003e-10 3.503387e-10 3.474233e-10 3.444066e-10 3.412813e-10 3.380394e-10 3.346716e-10 3.31168e-10 3.2751700000000005e-10 3.2370570000000004e-10 3.197194e-10 3.155413e-10 3.111519e-10 3.065288e-10 3.016456e-10 2.964713e-10 2.90969e-10 2.850943e-10 2.787931e-10 2.719985e-10 2.646268e-10 2.5657070000000004e-10 2.4769e-10 2.377964e-10 2.2662870000000002e-10 2.1380970000000002e-10 1.987647e-10 1.80555e-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 2.95338 3.13262 3.29026 3.42975 3.55345 3.66319 3.76044 3.84636 3.92192 3.98794 4.04512 4.09404 4.13522 4.16913 4.19615 4.21666 4.23096 4.23936 4.2421 4.23913 4.22951 4.21198 4.18505 4.14693 4.09544 4.02796 3.94129 3.83147 3.69366 3.5218 3.30834 3.0437 2.71572 2.3087 1.80224 1.16947 0.374487 -0.631344 -1.91511 -3.57111 -5.73499 -8.60669 -12.4902 -17.8644 -25.5162 -36.8086 -54.263 -82.9579 -134.37 ] "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 4.73183642732292e-19 5.01901056720108e-19 5.2715776917848395e-19 5.495065310461499e-19 5.6932545600873e-19 5.86907742390246e-19 6.024889101558959e-19 6.162548117952239e-19 6.283608584417279e-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 6.79183503448842e-19 6.77642209526934e-19 6.748335938875319e-19 6.7051893221217e-19 6.64411434883362e-19 6.561618273948959e-19 6.45350339468664e-19 6.3146427458178595e-19 6.1386917078719795e-19 5.91789574594044e-19 5.6425456696212e-19 5.300545045327559e-19 4.8765450209058e-19 4.35106312848648e-19 3.6989451949157997e-19 2.88750681686016e-19 1.87369750816398e-19 5.99994321136758e-20 -1.011524604816096e-19 -3.06834449353974e-19 -5.72154899944374e-19 -9.18846697422366e-19 -1.378943761408146e-18 -2.00115065939868e-18 -2.86219242604296e-18 -4.08814594284708e-18 -5.897387885025239e-18 -8.6938910690742e-18 -1.3291320898570858e-17 -2.1528447431057998e-17 ] } }