{ "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" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 8.49444 7.925281 7.572539 7.316253 7.114844 6.948905 6.807794 6.68504 6.576412 6.478991 6.39068 6.309919 6.23552 6.166552 6.102275 6.042093 5.985515 5.932133 5.881606 5.833643 5.787997 5.744454 5.702829 5.66296 5.635818 5.607253 5.577106 5.545192 5.511291 5.475139 5.436416 5.394727 5.349582 5.300353 5.246229 5.186127 5.11856 5.041409 4.951496 4.843748 4.709293 4.53037 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.494440000000002e-10 7.925281000000001e-10 7.572539e-10 7.316253e-10 7.114844e-10 6.948905e-10 6.807794e-10 6.685040000000001e-10 6.576412000000001e-10 6.478991e-10 6.39068e-10 6.309919e-10 6.23552e-10 6.166552e-10 6.102275e-10 6.042093e-10 5.985515e-10 5.932133000000001e-10 5.881605999999999e-10 5.833643000000001e-10 5.787997e-10 5.744454e-10 5.702829e-10 5.662960000000001e-10 5.635818000000001e-10 5.607253e-10 5.577106e-10 5.545192e-10 5.511291000000001e-10 5.475139000000001e-10 5.436416000000001e-10 5.394726999999999e-10 5.349582e-10 5.300353e-10 5.246229e-10 5.186127e-10 5.118560000000001e-10 5.041409e-10 4.951496e-10 4.843748e-10 4.709293e-10 4.53037e-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" [ 0.89405 1.13353 1.32671 1.52549 1.73892 1.93756 2.10092 2.23095 2.33703 2.4274 2.50773 2.58156 2.65078 2.71591 2.7765 2.83157 2.88013 2.9215 2.95543 2.98208 3.0018 3.01514 3.02272 3.02511 3.024 3.02043 3.01401 3.00426 2.99063 2.97244 2.94889 2.91901 2.8816 2.83515 2.77775 2.7069 2.61924 2.51022 2.3625 2.14257 1.78964 1.16242 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.4324260078262402e-19 1.816115264975424e-19 2.1256237445815683e-19 2.444104413264192e-19 2.786056969441536e-19 3.104313333397248e-19 3.366044906171136e-19 3.57437593217376e-19 3.744334828108224e-19 3.8891235293299204e-19 4.017826377278784e-19 4.136115077192448e-19 4.2470177428842244e-19 4.351367506196929e-19 4.448443387651201e-19 4.536675254158657e-19 4.614476950864704e-19 4.6807589976672e-19 4.735120850410944e-19 4.777818857355264e-19 4.80941378031744e-19 4.830786816438912e-19 4.842931315224577e-19 4.846760517348289e-19 4.8449821012992e-19 4.839262330762945e-19 4.828976356857408e-19 4.813355134804608e-19 4.791517467463104e-19 4.762373874730752e-19 4.724642615310912e-19 4.676769577881409e-19 4.61683215049728e-19 4.5424110464611205e-19 4.4504461084272e-19 4.336931894843521e-19 4.1964850922641924e-19 4.021815797064576e-19 3.7851422666399997e-19 3.4327755624274563e-19 2.867319367648512e-19 1.862402147550336e-19 ] } }