{ "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" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 8.29574 7.739894 7.395403 7.145112 6.948413 6.786356 6.648546 6.528663 6.422576 6.327433 6.241188 6.162317 6.089657 6.022302 5.95953 5.900755 5.8455 5.793367 5.744021 5.69718 5.652602 5.610078 5.569426 5.53049 5.503983 5.476086 5.446644 5.415476 5.382368 5.347062 5.309244 5.268531 5.224441 5.176364 5.123506 5.064809 4.998823 4.923476 4.835666 4.730439 4.599128 4.42439 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.295740000000001e-10 7.739893999999999e-10 7.395403e-10 7.145112e-10 6.948413000000001e-10 6.786356e-10 6.648546e-10 6.528663e-10 6.422576000000001e-10 6.327433e-10 6.241188e-10 6.162317e-10 6.089657e-10 6.022302e-10 5.95953e-10 5.900755e-10 5.8455e-10 5.793367e-10 5.744021e-10 5.697180000000001e-10 5.652602e-10 5.610078e-10 5.569426e-10 5.530490000000001e-10 5.503983e-10 5.476086e-10 5.446644e-10 5.415476e-10 5.382368e-10 5.347062e-10 5.309244e-10 5.268531000000001e-10 5.224441e-10 5.176364000000001e-10 5.123506e-10 5.064809000000001e-10 4.998823e-10 4.923476e-10 4.835666e-10 4.730439e-10 4.5991280000000003e-10 4.42439e-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" [ 0.574438 0.781209 0.936981 1.06293 1.16815 1.25786 1.33653 1.40518 1.46535 1.51871 1.5658 1.60723 1.64357 1.67529 1.70278 1.7264 1.74659 1.76354 1.77736 1.78825 1.79638 1.80204 1.80552 1.80665 1.8061 1.80429 1.80093 1.79566 1.788 1.77734 1.76287 1.7435 1.71814 1.68446 1.63938 1.57847 1.4951 1.37773 1.20675 0.945383 0.515314 -0.283986 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.203511336991104e-20 1.2516347957585474e-19 1.5012090523338047e-19 1.703001595546944e-19 1.87158261958752e-19 2.015313884239488e-19 2.1413571189978241e-19 2.2513465440157443e-19 2.34774951128928e-19 2.433241655775168e-19 2.5086881528486404e-19 2.5750663302483842e-19 2.6332894286482563e-19 2.684110471060032e-19 2.728154306365824e-19 2.76599771814912e-19 2.7983456641230725e-19 2.8255025578456325e-19 2.847644638745088e-19 2.8650923421456e-19 2.8781180380727045e-19 2.8871863577464325e-19 2.892761932386816e-19 2.8945723919683205e-19 2.8936911948268803e-19 2.890791255143232e-19 2.885407941697344e-19 2.876964470905728e-19 2.8646917979904003e-19 2.847612595212672e-19 2.824429099509696e-19 2.7933949383648e-19 2.7527637392613124e-19 2.6988024306727684e-19 2.6265763086071045e-19 2.528987730634176e-19 2.39541426575808e-19 2.207366795774784e-19 1.9334266371504001e-19 1.5146705403017666e-19 8.256240431709313e-20 -4.549957298345089e-20 ] } }