{ "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" [ "W" "W" "W" "W" "W" "W" "W" "W" ] } "a" { "source-value" [ 9.12123 8.510074 8.131304 7.856107 7.639836 7.461653 7.31013 7.178318 7.061674 6.957064 6.862237 6.775517 6.695628 6.621571 6.552552 6.487929 6.427176 6.369855 6.315599 6.264097 6.215083 6.168327 6.123631 6.08082 6.051676 6.021002 5.988631 5.954362 5.91796 5.87914 5.83756 5.792795 5.744319 5.691458 5.63334 5.568803 5.496251 5.413406 5.31686 5.201161 5.056785 4.86466 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.121230000000001e-10 8.510073999999999e-10 8.131304000000001e-10 7.856107e-10 7.639836e-10 7.461653000000001e-10 7.310130000000001e-10 7.178318e-10 7.061674000000001e-10 6.957064000000001e-10 6.862237000000001e-10 6.775517e-10 6.695628000000001e-10 6.621571e-10 6.552552000000001e-10 6.487929000000001e-10 6.427176000000001e-10 6.369855e-10 6.315599e-10 6.264097e-10 6.215083e-10 6.168327e-10 6.123631e-10 6.08082e-10 6.051675999999999e-10 6.021002000000001e-10 5.988631e-10 5.954362e-10 5.91796e-10 5.87914e-10 5.83756e-10 5.792795e-10 5.744319e-10 5.691458e-10 5.63334e-10 5.568803e-10 5.496251e-10 5.413406e-10 5.31686e-10 5.201161000000001e-10 5.056785e-10 4.86466e-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" [ 1.70907 2.71278 3.33483 3.78679 4.14197 4.4322 4.6417 4.79539 4.91706 5.01841 5.10546 5.1814 5.24798 5.30617 5.35653 5.39941 5.43506 5.46365 5.48534 5.50012 5.50782 5.51282 5.51662 5.5181 5.51725 5.51421 5.50807 5.49764 5.48129 5.45686 5.42136 5.37068 5.29898 5.19788 5.055 4.85155 4.55782 4.12477 3.46632 2.42103 0.538382 -3.51521 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.73823201987038e-19 4.346352729182519e-19 5.34298670436222e-19 6.067106455864859e-19 6.636167552728979e-19 7.1011672772148e-19 7.4368232820378e-19 7.68306180891726e-19 7.87799863997604e-19 8.04037924183194e-19 8.179848717821639e-19 8.3015180114076e-19 8.40819093169932e-19 8.501421590031779e-19 8.58210720532002e-19 8.650808539385939e-19 8.70792613638804e-19 8.7537323663541e-19 8.78848357754556e-19 8.812163748196078e-19 8.824500508277879e-19 8.832511391447879e-19 8.83859966265708e-19 8.840970884075399e-19 8.8396090339365e-19 8.83473841696914e-19 8.82490105243638e-19 8.808190350143758e-19 8.78199476217786e-19 8.742853587009239e-19 8.68597631650224e-19 8.60477800469112e-19 8.48990194003332e-19 8.327921882335919e-19 8.099002884869999e-19 7.773040048682699e-19 7.302432705977881e-19 6.60861011462418e-19 5.55365690996688e-19 3.8789176962130196e-19 8.62583060566188e-20 -5.63198732560314e-19 ] } }