{ "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" [ "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" ] } "a" { "source-value" [ 12.4752 11.639315 11.121268 10.744878 10.449082 10.205379 9.99814 9.817859 9.658324 9.515249 9.385552 9.266945 9.157679 9.05639 8.961992 8.873607 8.790515 8.712116 8.63791 8.56747 8.500433 8.436484 8.375353 8.3168 8.276939 8.234986 8.190711 8.143842 8.094054 8.04096 7.98409 7.922865 7.856562 7.784263 7.704775 7.616506 7.517276 7.403969 7.27192 7.113678 6.916213 6.65344 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.24752e-09 1.1639315e-09 1.1121268000000002e-09 1.0744878e-09 1.0449082000000001e-09 1.0205379e-09 9.99814e-10 9.817859000000001e-10 9.658324000000001e-10 9.515249000000002e-10 9.385552e-10 9.266945e-10 9.157679e-10 9.056390000000001e-10 8.961992000000001e-10 8.873607e-10 8.790514999999999e-10 8.712116e-10 8.63791e-10 8.56747e-10 8.500432999999999e-10 8.436484000000001e-10 8.375353e-10 8.316800000000001e-10 8.276939000000001e-10 8.234986e-10 8.190711000000001e-10 8.143841999999999e-10 8.094054e-10 8.04096e-10 7.98409e-10 7.922865e-10 7.856562000000001e-10 7.784263e-10 7.704775e-10 7.616506e-10 7.517276e-10 7.403969e-10 7.27192e-10 7.113678e-10 6.916213e-10 6.65344e-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" [ 0.234658 0.351738 0.454637 0.548947 0.6371 0.719678 0.797579 0.870806 0.93959 1.00407 1.06439 1.12066 1.17274 1.2206 1.26438 1.30402 1.33928 1.3701 1.39639 1.41807 1.43505 1.44723 1.45473 1.45726 1.45598 1.45169 1.44352 1.43034 1.41068 1.38244 1.34272 1.28745 1.21076 1.10392 0.953544 0.738372 0.422571 -0.057164 -0.822846 -2.13493 -4.63559 -10.3305 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.7596356148368644e-20 5.635464002469504e-20 7.284087723506497e-20 8.795100494582976e-20 1.02074672511168e-19 1.1530512661041026e-19 1.2778624270410434e-19 1.395185014452365e-19 1.505389131137472e-19 1.6086974796466561e-19 1.705340773413312e-19 1.795495251865728e-19 1.8789366102769918e-19 1.95561678334848e-19 2.0257600758071042e-19 2.089270357055616e-19 2.145763104705024e-19 2.19514218815808e-19 2.2372634115189124e-19 2.271998600657856e-19 2.29920355967904e-19 2.3187180709203844e-19 2.330734395576384e-19 2.3347879024270083e-19 2.3327371163523843e-19 2.325863778649152e-19 2.312773995657216e-19 2.291657307795072e-19 2.260158515430144e-19 2.2149130476587517e-19 2.1512745922805759e-19 2.0627222904489601e-19 1.9398513653998082e-19 1.768674815233536e-19 1.5277459037041152e-19 1.1830023558533378e-19 6.770333768280768e-20 -9.15868243514112e-21 -1.318344623718797e-19 -3.4205349330445444e-19 -7.427033921614272e-19 -1.6551285581174403e-18 ] } }