{ "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" [ "Rh" "Rh" "Rh" "Rh" ] } "a" { "source-value" [ 5.7 5.318079 5.08138 4.909405 4.774253 4.662904 4.568215 4.485844 4.412951 4.347579 4.28832 4.234127 4.184203 4.137924 4.094793 4.054409 4.016443 3.980623 3.946717 3.914533 3.883903 3.854685 3.826753 3.8 3.772954 3.745083 3.716334 3.686652 3.655973 3.624228 3.591341 3.557225 3.521786 3.484917 3.446497 3.406391 3.364443 3.320476 3.274286 3.225636 3.174249 3.1198 3.061898 3.000078 2.93377 2.86227 2.784697 2.699922 2.606469 2.502357 2.384839 2.249943 2.091623 1.9 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.7e-10 5.318079e-10 5.08138e-10 4.909405e-10 4.774253e-10 4.662904000000001e-10 4.5682150000000004e-10 4.485844e-10 4.4129509999999995e-10 4.3475789999999996e-10 4.2883199999999997e-10 4.234127e-10 4.1842030000000003e-10 4.137924e-10 4.0947930000000005e-10 4.054409e-10 4.016443e-10 3.9806230000000003e-10 3.946717e-10 3.914533e-10 3.8839030000000003e-10 3.854685e-10 3.826753e-10 3.8e-10 3.772954e-10 3.745083e-10 3.716334e-10 3.686652e-10 3.6559730000000003e-10 3.624228e-10 3.591341e-10 3.557225e-10 3.5217860000000004e-10 3.484917e-10 3.446497e-10 3.4063910000000005e-10 3.364443e-10 3.320476e-10 3.274286e-10 3.2256360000000003e-10 3.1742490000000004e-10 3.1198000000000004e-10 3.061898e-10 3.000078e-10 2.93377e-10 2.8622700000000003e-10 2.7846970000000003e-10 2.699922e-10 2.606469e-10 2.502357e-10 2.384839e-10 2.2499430000000002e-10 2.091623e-10 1.9e-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" [ 1.84041 2.42549 2.86497 3.22706 3.5385 3.81273 4.0575 4.27771 4.47668 4.65678 4.81974 4.96691 5.09933 5.21784 5.32315 5.41583 5.49637 5.56519 5.62266 5.66911 5.70483 5.73006 5.74505 5.75 5.74456 5.72672 5.6938 5.64257 5.56904 5.46829 5.33427 5.1594 4.9342 4.64673 4.28179 3.81936 3.22915 2.47049 1.49144 0.223757 -1.44131 -3.70181 -6.83492 -11.22 -17.3788 -26.0329 -38.1795 -55.1911 -78.9692 -112.081 -159.888 -231.578 -344.42 -539.027 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.94866189897994e-19 3.8860634040006594e-19 4.590187991110979e-19 5.170320128516039e-19 5.669302019409e-19 6.10866691775082e-19 6.500831692454999e-19 6.853647009028139e-19 7.17243209389512e-19 7.46098410567852e-19 7.72207480995516e-19 7.95786714518094e-19 8.170027375055219e-19 8.359901327950559e-19 8.528626549277099e-19 8.677116279716218e-19 8.806155585818579e-19 8.91641738177046e-19 9.00849447292644e-19 9.08291557757574e-19 9.14014532694222e-19 9.18056824341804e-19 9.204584871161699e-19 9.2125156455e-19 9.20379980461104e-19 9.17521697346048e-19 9.1224733186692e-19 9.040393809709379e-19 8.922585761811359e-19 8.76116646593586e-19 8.54644275344718e-19 8.266270125459599e-19 7.905459947482799e-19 7.44488223050682e-19 6.86018388969486e-19 6.11928934883424e-19 5.1736686776811e-19 3.9581613525306595e-19 2.38955031901296e-19 3.58498237093938e-20 -2.30923320435054e-19 -5.93095348550754e-19 -1.095074911925928e-18 -1.7976421833479998e-18 -2.7843907286959194e-18 -4.17093040952586e-18 -6.117030279780299e-18 -8.842589082475739e-18 -1.2652260704567279e-17 -1.79573559315354e-17 -2.56168817656992e-17 -3.71028860548452e-17 -5.5182167628228e-17 -8.63616464495118e-17 ] } }