{ "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" [ "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" ] } "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" [ 0.065242 0.0977938 0.126403 0.152624 0.177133 0.200092 0.221751 0.24211 0.261235 0.279162 0.295932 0.311578 0.326057 0.339364 0.351537 0.362557 0.372361 0.380929 0.388239 0.394266 0.398987 0.402373 0.404458 0.405163 0.404808 0.403615 0.401343 0.397677 0.392212 0.384361 0.373317 0.35795 0.336628 0.306923 0.265114 0.20529 0.117488 -0.0158933 -0.228776 -0.593575 -1.28883 -2.87219 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.045292070942336e-20 1.5668294001919106e-20 2.0251993139898238e-20 2.4453060457297923e-20 2.8379835137216647e-20 3.205827244091136e-20 3.552842678390208e-20 3.87902981661888e-20 4.18544609534688e-20 4.4726682981576966e-20 4.741353317465856e-20 4.9920298715562244e-20 5.224009024481856e-20 5.437210667411712e-20 5.632243627461696e-20 5.808803491073857e-20 5.965880886977088e-20 6.103155379847233e-20 6.220274490827713e-20 6.316837675763329e-20 6.392476434031297e-20 6.446726134411585e-20 6.480131516955264e-20 6.491426862131904e-20 6.485739135128064e-20 6.46662516804192e-20 6.430223715217345e-20 6.371487920298816e-20 6.283928967972097e-20 6.158142081473089e-20 5.981197695471937e-20 5.7349912141536e-20 5.393375115066624e-20 4.9174485498579844e-20 4.247594526467712e-20 3.2891083848403204e-20 1.882365268245504e-20 -2.546387368736064e-21 -3.6653955860014086e-20 -9.5101198769136e-20 -2.064933294185664e-19 -4.601755668495552e-19 ] } }