{ "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" [ "Cu" "Cu" "Cu" "Cu" ] } "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" [ 2.76386 4.12976 5.33847 6.4446 7.47228 8.4337 9.33993 10.1928 10.9939 11.7469 12.4509 13.1062 13.7131 14.2722 14.7817 15.2411 15.6497 16.0078 16.3133 16.5651 16.7622 16.9043 16.9919 17.0214 17.0065 16.9566 16.8616 16.7082 16.4787 16.1489 15.6854 15.0408 14.1472 12.905 11.1563 8.65278 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.428191875164289e-19 6.616604921515009e-19 8.553171824842176e-19 1.0325387450407682e-18 1.1971912320071423e-18 1.351227696684096e-18 1.4964217485908546e-18 1.6330665860490242e-18 1.761416955141312e-18 1.8820608546875522e-18 1.994854088791872e-18 2.099844722752896e-18 2.197080821869248e-18 2.286658516738176e-18 2.3682894155679362e-18 2.441893409527488e-18 2.507358346253376e-18 2.564732291044224e-18 2.6136787868096644e-18 2.6540215941214084e-18 2.6856004953173763e-18 2.7083674250989442e-18 2.7224024922971525e-18 2.727128913328512e-18 2.72474167016352e-18 2.7167468088257285e-18 2.701526130928128e-18 2.6769487415650563e-18 2.640178788117696e-18 2.5873390031637123e-18 2.5130781167896322e-18 2.4098018118128645e-18 2.266631308978176e-18 2.0676089291424e-18 1.787436303463104e-18 1.3863281820925824e-18 ] } }