{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Na" "Na" ] } "a" { "source-value" [ 5.4814 5.114127 4.886505 4.721126 4.591158 4.484079 4.393022 4.31381 4.243713 4.180848 4.123861 4.071747 4.023738 3.979233 3.937757 3.898922 3.862412 3.827965 3.79536 3.76441 3.734955 3.706857 3.679997 3.65427 3.628261 3.601459 3.573813 3.545269 3.515766 3.485239 3.453612 3.420805 3.386725 3.351269 3.314323 3.275755 3.235415 3.193134 3.148716 3.101931 3.052515 3.000154 2.944473 2.885023 2.821258 2.7525 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.4814e-10 5.114127e-10 4.886505e-10 4.721126e-10 4.591158e-10 4.4840790000000006e-10 4.3930220000000005e-10 4.31381e-10 4.2437129999999995e-10 4.1808480000000005e-10 4.123861e-10 4.0717470000000005e-10 4.023738e-10 3.9792329999999997e-10 3.9377570000000003e-10 3.898922e-10 3.862412e-10 3.827965e-10 3.7953600000000003e-10 3.76441e-10 3.734955e-10 3.706857e-10 3.6799970000000003e-10 3.65427e-10 3.628261e-10 3.6014590000000003e-10 3.573813e-10 3.545269e-10 3.5157660000000004e-10 3.485239e-10 3.453612e-10 3.4208050000000003e-10 3.3867250000000005e-10 3.351269e-10 3.314323e-10 3.2757550000000003e-10 3.235415e-10 3.193134e-10 3.148716e-10 3.101931e-10 3.052515e-10 3.0001540000000005e-10 2.944473e-10 2.885023e-10 2.821258e-10 2.7525e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.949737 1.42144 1.83699 2.21753 2.57131 2.9034 3.21579 3.50947 3.78537 4.04406 4.28619 4.51151 4.72003 4.91221 5.08806 5.24723 5.3889 5.51278 5.61855 5.70587 5.77447 5.82418 5.85431 5.86444 5.853 5.81484 5.7431 5.62887 5.46054 5.22334 4.8983 4.46069 3.87813 3.10731 2.0903 0.749698 -1.0233 -3.38018 -6.53459 -10.7952 -16.6169 -24.6868 -36.0691 -52.4591 -76.6525 -113.462 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.521646429845258e-19 2.27739795463296e-19 2.94318245489166e-19 3.5528747511940195e-19 4.11969280077054e-19 4.6517596391556e-19 5.15226359785086e-19 5.62279083172398e-19 6.064831365044579e-19 6.479298438494039e-19 6.86723346688446e-19 7.22823590605734e-19 7.56232177777902e-19 7.87022808330114e-19 8.151970844390039e-19 8.4069892992238195e-19 8.633969662962599e-19 8.832447304382519e-19 9.0019095269607e-19 9.14181159064158e-19 9.251720907733978e-19 9.33136510821012e-19 9.37963869019254e-19 9.39586873949496e-19 9.377539838801998e-19 9.31640077844856e-19 9.2014606267254e-19 9.01844398982358e-19 8.74874959702236e-19 8.36871329943756e-19 7.847941806322199e-19 7.146813289517459e-19 6.21344926961442e-19 4.97845947659454e-19 3.3490298180501997e-19 1.201148618156532e-19 -1.6395073495722001e-19 -5.41564541471412e-19 -1.046956741077006e-18 -1.7295817199356797e-18 -2.66232089095146e-18 -3.95526141282312e-18 -5.77890692294094e-18 -8.404874426066939e-18 -1.22810844437685e-17 -1.81786165246908e-17 ] } }