{ "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" [ "Pd" "Pd" "Pd" "Pd" ] } "a" { "source-value" [ 5.82729 5.43684 5.194855 5.01904 4.88087 4.767034 4.67023 4.58602 4.511499 4.444667 4.384085 4.328682 4.277643 4.23033 4.186236 4.14495 4.106137 4.069516 4.034854 4.00195 3.970637 3.940766 3.912211 3.88486 3.86624 3.846644 3.825963 3.80407 3.780813 3.756013 3.729448 3.700849 3.669879 3.636107 3.598978 3.557747 3.511395 3.458468 3.396787 3.322871 3.230633 3.10789 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.82729e-10 5.436840000000001e-10 5.194854999999999e-10 5.01904e-10 4.88087e-10 4.767034e-10 4.67023e-10 4.5860200000000007e-10 4.511499e-10 4.444667e-10 4.384085e-10 4.3286819999999997e-10 4.2776430000000006e-10 4.2303300000000006e-10 4.186236e-10 4.1449499999999997e-10 4.1061370000000003e-10 4.069516e-10 4.0348540000000005e-10 4.00195e-10 3.970637e-10 3.940766e-10 3.912211e-10 3.8848600000000004e-10 3.86624e-10 3.846644e-10 3.825963e-10 3.80407e-10 3.7808130000000005e-10 3.756013e-10 3.7294480000000004e-10 3.700849e-10 3.669879e-10 3.636107e-10 3.598978e-10 3.557747e-10 3.511395e-10 3.458468e-10 3.396787e-10 3.322871e-10 3.2306330000000004e-10 3.10789e-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" [ 0.616479 1.02078 1.38513 1.72658 2.02346 2.28135 2.50293 2.69173 2.85197 2.98771 3.10238 3.19876 3.31133 3.42185 3.52116 3.60766 3.68193 3.7448 3.79693 3.83877 3.87068 3.89301 3.90614 3.91042 3.90835 3.9015 3.88881 3.8689 3.83954 3.79853 3.74868 3.68355 3.59609 3.47766 3.31645 3.09476 2.78449 2.33909 1.6777 0.65986 -1.00828 -4.10784 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.877082410141632e-20 1.635469850980224e-19 2.219222902768704e-19 2.766286109940864e-19 3.241940305123968e-19 3.6551256338620808e-19 4.0101359294989444e-19 4.3126268755059845e-19 4.569359657222976e-19 4.786839111730368e-19 4.970560704837505e-19 5.124978487550209e-19 5.305335509753664e-19 5.48240806988448e-19 5.641520230096128e-19 5.780108507795329e-19 5.8991021654221445e-19 5.99983100957184e-19 6.083352476814144e-19 6.150387546628416e-19 6.201513002598144e-19 6.237289606540608e-19 6.258326185571713e-19 6.265183501508736e-19 6.261866995903681e-19 6.250892086051201e-19 6.230560464733248e-19 6.19866112821312e-19 6.151621222626432e-19 6.085915959407424e-19 6.006047454860544e-19 5.90169769154784e-19 5.761571324292672e-19 5.571825547091329e-19 5.313538654052161e-19 4.9583521189870085e-19 4.461244778851392e-19 3.7476353119470723e-19 2.68797171671616e-19 1.0572122650010881e-19 -1.6154426432202243e-19 -6.581485209987073e-19 ] } }