{ "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" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 7.88754 7.359046 7.031506 6.793531 6.606511 6.452428 6.3214 6.207416 6.106549 6.016088 5.934087 5.859096 5.790012 5.725972 5.666288 5.610406 5.55787 5.508302 5.461384 5.416848 5.374463 5.334031 5.29538 5.25836 5.233157 5.206633 5.17864 5.149006 5.117527 5.083958 5.048002 5.009292 4.967372 4.92166 4.871403 4.815595 4.752856 4.681216 4.597728 4.497678 4.37283 4.20669 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.88754e-10 7.359046e-10 7.031506000000001e-10 6.793531e-10 6.606511e-10 6.452428e-10 6.3214e-10 6.207416000000001e-10 6.106549000000001e-10 6.016088e-10 5.934087e-10 5.859096000000001e-10 5.790012e-10 5.725972e-10 5.666288e-10 5.610406e-10 5.557870000000001e-10 5.508302e-10 5.461384e-10 5.416848e-10 5.374463000000001e-10 5.334031000000001e-10 5.29538e-10 5.25836e-10 5.233157000000001e-10 5.206633000000001e-10 5.178639999999999e-10 5.149006e-10 5.117527e-10 5.083958e-10 5.048002e-10 5.009292e-10 4.967372e-10 4.92166e-10 4.871403e-10 4.815595e-10 4.752856000000001e-10 4.681216e-10 4.597728e-10 4.4976779999999996e-10 4.3728300000000004e-10 4.20669e-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" [ 1.24337 1.53719 1.74947 1.9163 2.05295 2.1676 2.26528 2.34933 2.42213 2.48542 2.5405 2.58847 2.63017 2.66628 2.69737 2.72392 2.74633 2.76495 2.7801 2.79203 2.80098 2.80716 2.81074 2.81191 2.81135 2.80952 2.80615 2.80088 2.79329 2.7828 2.76866 2.7499 2.72519 2.69266 2.64969 2.59243 2.51502 2.40808 2.25529 2.02491 1.64527 0.913153 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.9920983450040964e-19 2.462849879727552e-19 2.802959932790976e-19 3.07025105843904e-19 3.28918849367136e-19 3.4728780432460804e-19 3.6293786555658246e-19 3.7640416005440644e-19 3.8806800585383046e-19 3.982081816868736e-19 4.0703297051424005e-19 4.1471861176421763e-19 4.2139968827295363e-19 4.2718514805066242e-19 4.321663151647296e-19 4.364200940929536e-19 4.400105719001664e-19 4.429938247680959e-19 4.45421122348608e-19 4.473325190572224e-19 4.487664671328384e-19 4.497566122844928e-19 4.503301915147393e-19 4.505176461793728e-19 4.50427924288608e-19 4.501347259670016e-19 4.495947924457921e-19 4.487504453666304e-19 4.475343933114432e-19 4.45853710036224e-19 4.435882322944128e-19 4.40582548953792e-19 4.366235705237952e-19 4.3141168997633284e-19 4.2452713703675524e-19 4.153530737060544e-19 4.029506244844416e-19 3.8581694770160644e-19 3.613372911124032e-19 3.2442634612241287e-19 2.636013128903616e-19 1.4630323878133825e-19 ] } }