{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "a" { "source-value" [ 8.62953 8.05132 7.692968 7.432606 7.227994 7.059416 6.916061 6.791355 6.680999 6.582029 6.492313 6.410268 6.334685 6.26462 6.199322 6.138183 6.080705 6.026474 5.975143 5.926417 5.880045 5.83581 5.793523 5.75302 5.725447 5.696427 5.6658 5.633379 5.598939 5.562212 5.522873 5.480522 5.434659 5.384647 5.329662 5.268604 5.199963 5.121585 5.030243 4.920781 4.784188 4.60242 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.629530000000001e-10 8.051320000000001e-10 7.692968e-10 7.432606e-10 7.227994e-10 7.059416e-10 6.916061000000001e-10 6.791355e-10 6.680999e-10 6.582029000000001e-10 6.492313e-10 6.410268e-10 6.334685e-10 6.26462e-10 6.199322e-10 6.138183e-10 6.080705e-10 6.026474000000001e-10 5.975143000000001e-10 5.926417e-10 5.880045e-10 5.835810000000001e-10 5.793523000000001e-10 5.753020000000001e-10 5.725447e-10 5.696427e-10 5.6658e-10 5.633379e-10 5.598939e-10 5.562212e-10 5.522873e-10 5.480522e-10 5.434659e-10 5.384647000000001e-10 5.329662e-10 5.268604e-10 5.199963e-10 5.121585e-10 5.030243e-10 4.920781e-10 4.784188e-10 4.6024200000000007e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0.835543 1.20944 1.48761 1.71236 1.8983 2.05542 2.19008 2.30656 2.40816 2.49857 2.57801 2.64787 2.70924 2.76301 2.80988 2.849 2.8823 2.91024 2.9332 2.95148 2.96535 2.97503 2.98071 2.98257 2.98167 2.97867 2.97309 2.96427 2.95139 2.93334 2.90881 2.8757 2.8311 2.77094 2.68918 2.57636 2.41739 2.18768 1.84253 1.29233 0.337219 -1.55741 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.3386874602730944e-19 1.9377364922603523e-19 2.3834139628682883e-19 2.7435031583930883e-19 3.04141187926464e-19 3.2931458699247357e-19 3.5088949736816644e-19 3.6955165064724484e-19 3.8582976511457284e-19 4.003150439432256e-19 4.130427350188608e-19 4.2423554089176966e-19 4.340680988136192e-19 4.426830025036609e-19 4.501924043253504e-19 4.564601192659201e-19 4.61795367413184e-19 4.662718488916992e-19 4.69950446413056e-19 4.728792252758784e-19 4.75101444248928e-19 4.766523512178624e-19 4.775623875384769e-19 4.778603923899456e-19 4.777161964940736e-19 4.772355435078336e-19 4.763415289534273e-19 4.749284091738817e-19 4.728648056862912e-19 4.699728768857472e-19 4.660427376349248e-19 4.60737930843456e-19 4.535922231146881e-19 4.439535285639552e-19 4.308541325122944e-19 4.1277837587642884e-19 3.8730857413557125e-19 3.505049749791744e-19 2.952058489122624e-19 2.070540912358464e-19 5.402843978895552e-20 -2.495245891000128e-19 ] } }