{ "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" [ 1.99209836141658e-19 2.46284990001846e-19 2.80295995588398e-19 3.0702510837341997e-19 3.2891885207703e-19 3.4728780718584e-19 3.62937868546752e-19 3.76404163155522e-19 3.88068009051042e-19 3.9820818496762796e-19 4.070329738677e-19 4.14718615180998e-19 4.21399691744778e-19 4.2718515157015197e-19 4.321663187252579e-19 4.36420097688528e-19 4.400105755253219e-19 4.4299382841783e-19 4.454211260183399e-19 4.47332522742702e-19 4.48766470830132e-19 4.49756615989944e-19 4.50330195224916e-19 4.50517649891094e-19 4.5042792799959e-19 4.50134729675568e-19 4.4959479614991e-19 4.487504490637919e-19 4.475343969985859e-19 4.4585371370952e-19 4.43588235949044e-19 4.405825525836599e-19 4.36623574121046e-19 4.3141169353064397e-19 4.24527140534346e-19 4.1535307712806194e-19 4.0295062780426794e-19 3.8581695088027196e-19 3.61337294089386e-19 3.24426348795294e-19 2.6360131506211797e-19 1.463032399867002e-19 ] } }