{ "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" [ 8.69832 8.1155 7.754292 7.491855 7.285611 7.11569 6.971192 6.845492 6.734256 6.634497 6.544066 6.461367 6.385182 6.314559 6.24874 6.187113 6.129177 6.074514 6.022773 5.973659 5.926918 5.88233 5.839706 5.79888 5.771087 5.741835 5.710965 5.678285 5.64357 5.60655 5.566897 5.524208 5.477979 5.427568 5.372144 5.310599 5.241411 5.162407 5.070336 4.960001 4.822319 4.6391 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.698320000000001e-10 8.115500000000002e-10 7.754292e-10 7.491855000000001e-10 7.285611000000001e-10 7.11569e-10 6.971192e-10 6.845492e-10 6.734256000000001e-10 6.634497e-10 6.544066e-10 6.461367e-10 6.385182e-10 6.314559e-10 6.24874e-10 6.187113e-10 6.129177000000001e-10 6.074514e-10 6.022773e-10 5.973659e-10 5.926918e-10 5.88233e-10 5.839706e-10 5.798879999999999e-10 5.771087e-10 5.741835000000001e-10 5.710965e-10 5.678285e-10 5.643570000000001e-10 5.606550000000001e-10 5.566897e-10 5.524208e-10 5.477979000000001e-10 5.427568e-10 5.372144e-10 5.310599e-10 5.241411000000001e-10 5.162407e-10 5.070336000000001e-10 4.960001000000001e-10 4.822319000000001e-10 4.6391e-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" [ 0.393994 0.942619 1.276 1.49249 1.64456 1.75742 1.84444 1.91337 1.96908 2.01477 2.05266 2.08433 2.11097 2.13347 2.15252 2.16865 2.1823 2.19383 2.20352 2.21162 2.2181 2.22246 2.22509 2.22597 2.22553 2.22408 2.22137 2.21712 2.21099 2.20262 2.19163 2.17763 2.1603 2.13939 2.11484 2.08673 2.05524 2.02029 1.98062 1.92692 1.83299 1.62526 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.312479755354753e-20 1.5102421241218754e-19 2.0443773681408e-19 2.3912325847777924e-19 2.6348755835028483e-19 2.8156972369263363e-19 2.9551186464683523e-19 3.0655566809400963e-19 3.154813940484864e-19 3.228017390289216e-19 3.288723862451328e-19 3.339464796032064e-19 3.3821467812101763e-19 3.4181957551781763e-19 3.448717219804416e-19 3.4745603286979204e-19 3.4964300395718404e-19 3.5149031360096645e-19 3.5304282274652163e-19 3.543405858093696e-19 3.5537879625964803e-19 3.560773452663168e-19 3.564987177175872e-19 3.566397092602176e-19 3.565692134889024e-19 3.563368978788864e-19 3.5590270801464957e-19 3.5522178295080963e-19 3.5423964868225916e-19 3.5289862685064964e-19 3.511378347443904e-19 3.4889478747527043e-19 3.46118215391424e-19 3.4276806407733124e-19 3.388347204732672e-19 3.3433100199219846e-19 3.292857478132992e-19 3.2368614052360327e-19 3.173303058688896e-19 3.0872661741519363e-19 2.936773724160192e-19 2.603953574721408e-19 ] } }