{ "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" [ "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" ] } "a" { "source-value" [ 8.88908 8.293478 7.924348 7.656155 7.445388 7.27174 7.124073 6.995616 6.881941 6.779994 6.687579 6.603067 6.525211 6.453038 6.385776 6.322798 6.263591 6.207729 6.154854 6.104663 6.056896 6.01133 5.967771 5.92605 5.897647 5.867755 5.836207 5.80281 5.767334 5.729503 5.688981 5.645355 5.598112 5.546596 5.489958 5.427063 5.356357 5.275621 5.181532 5.068778 4.928076 4.74084 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.889080000000001e-10 8.293478000000001e-10 7.924348e-10 7.656155e-10 7.445388e-10 7.27174e-10 7.124073e-10 6.995616e-10 6.881941e-10 6.779994000000001e-10 6.687579e-10 6.603067000000001e-10 6.525211e-10 6.453038e-10 6.385776e-10 6.322798e-10 6.263591e-10 6.207729e-10 6.154854000000001e-10 6.104663e-10 6.056896e-10 6.01133e-10 5.967771e-10 5.92605e-10 5.897647e-10 5.867755e-10 5.836207e-10 5.80281e-10 5.767334e-10 5.729503000000001e-10 5.688981e-10 5.645355e-10 5.598112e-10 5.546596e-10 5.489958e-10 5.427063e-10 5.356357e-10 5.275621e-10 5.181532e-10 5.068778e-10 4.928076e-10 4.74084e-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" [ 1.179 0.58623 0.659911 1.10856 1.43631 1.72925 2.00716 2.26984 2.51407 2.74268 2.96187 3.17 3.35732 3.51629 3.64588 3.74939 3.83269 3.90235 3.96355 4.0183 4.06528 4.10141 4.12391 4.13146 4.12779 4.11581 4.09398 4.06055 4.01351 3.95044 3.86834 3.76364 3.63306 3.47501 3.29055 3.07903 2.82019 2.45199 1.88056 0.985443 0.0933522 2.15696 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.8889662359232e-19 9.392440004115841e-20 1.0572939760087489e-19 1.7761089147540482e-19 2.301222302221248e-19 2.7705639215184003e-19 3.215824826204928e-19 3.636684580956672e-19 4.027984177054656e-19 4.394257774335745e-19 4.745438867848896e-19 5.078899887936e-19 5.379019612544257e-19 5.633717629952832e-19 5.841343698242305e-19 6.007185000261312e-19 6.140646312773952e-19 6.252253936178881e-19 6.35030714537184e-19 6.43802631536064e-19 6.513296573005823e-19 6.571183214315327e-19 6.607232188283329e-19 6.619328621770368e-19 6.613448633572033e-19 6.594254557654848e-19 6.559279042022785e-19 6.50571827758944e-19 6.430351889347008e-19 6.329302609873152e-19 6.197763909305472e-19 6.030016017107713e-19 5.820803793963648e-19 5.567579779046209e-19 5.27204227957344e-19 4.9331498807418245e-19 4.518442484213953e-19 3.928521052435392e-19 3.0129892660116483e-19 1.5788537357310145e-19 1.4956671234024576e-20 3.4558308840007687e-19 ] } }