{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 5.44604 5.081135 4.854981 4.690668 4.561538 4.455149 4.364679 4.285977 4.216332 4.153873 4.097254 4.045476 3.997776 3.953558 3.912349 3.873764 3.83749 3.803265 3.770871 3.74012 3.710855 3.682938 3.656251 3.63069 3.613289 3.594974 3.575646 3.555185 3.53345 3.510272 3.485445 3.458717 3.429773 3.398211 3.36351 3.324977 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.44604e-10 5.081135e-10 4.854981e-10 4.690668e-10 4.561538e-10 4.4551489999999995e-10 4.364679e-10 4.285977e-10 4.2163320000000006e-10 4.153873e-10 4.097254000000001e-10 4.045476e-10 3.997776e-10 3.953558e-10 3.912349e-10 3.873764e-10 3.83749e-10 3.8032650000000004e-10 3.7708710000000005e-10 3.74012e-10 3.710855e-10 3.682938e-10 3.6562510000000005e-10 3.63069e-10 3.613289e-10 3.5949740000000005e-10 3.575646e-10 3.555185e-10 3.5334500000000003e-10 3.510272e-10 3.485445e-10 3.4587170000000004e-10 3.429773e-10 3.398211e-10 3.3635100000000004e-10 3.3249770000000003e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 1.60106 2.3923 3.09248 3.73325 4.32857 4.8855 5.41046 5.90449 6.36858 6.80476 7.21262 7.5922 7.94379 8.26764 8.5628 8.82891 9.06562 9.27306 9.44999 9.59586 9.71004 9.79238 9.84312 9.86019 9.8516 9.82268 9.76764 9.67878 9.54584 9.3548 9.08627 8.71286 8.19525 7.47562 6.46266 5.01241 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.565180900498048e-19 3.8328871299398404e-19 4.954699156291584e-19 5.9813258696016e-19 6.935133655496257e-19 7.827433880918401e-19 8.668512519773568e-19 9.460035835747393e-19 1.0203589983694464e-18 1.090242738215501e-18 1.1555891138714498e-18 1.216404534043776e-18 1.2727354618544832e-18 1.3246219517190913e-18 1.371911796858624e-18 1.414547318914733e-18 1.4524724417056895e-18 1.4857079935275649e-18 1.5140553044793793e-18 1.537426254846989e-18 1.5557199075032832e-18 1.5689122297989504e-18 1.5770416739728899e-18 1.5797765894645953e-18 1.578400319747328e-18 1.5737668249599746e-18 1.5649484448390914e-18 1.5507115033866624e-18 1.5294121673897473e-18 1.4988041852259839e-18 1.4557809364276418e-18 1.3959540592303487e-18 1.3130237951611201e-18 1.1977263589984897e-18 1.0354322760179328e-18 8.030766115864129e-19 ] } }