{ "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" [ 9.4474 8.81439 8.422076 8.137038 7.913034 7.728479 7.571538 7.435013 7.314198 7.205847 7.107629 7.017809 6.935062 6.858357 6.78687 6.719937 6.657011 6.59764 6.541444 6.488101 6.437334 6.388906 6.342612 6.29827 6.268083 6.236313 6.202784 6.16729 6.129586 6.089378 6.046311 5.999946 5.949735 5.894984 5.834788 5.767943 5.692796 5.60699 5.50699 5.387155 5.237616 5.03862 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.4474e-10 8.81439e-10 8.422076000000001e-10 8.137038000000001e-10 7.913034e-10 7.728479e-10 7.571538000000001e-10 7.435013e-10 7.314198000000001e-10 7.205847000000001e-10 7.107629e-10 7.017809e-10 6.935062e-10 6.858357000000001e-10 6.78687e-10 6.719937e-10 6.657011e-10 6.59764e-10 6.541444e-10 6.488101000000001e-10 6.437334000000001e-10 6.388906e-10 6.342612e-10 6.29827e-10 6.268083e-10 6.236313e-10 6.202784000000001e-10 6.167290000000001e-10 6.129586e-10 6.089378e-10 6.046311e-10 5.999945999999999e-10 5.949735e-10 5.894984e-10 5.834788e-10 5.767943e-10 5.692796000000001e-10 5.60699e-10 5.506990000000001e-10 5.387155e-10 5.237616000000001e-10 5.03862e-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" [ 1.19919 1.44971 1.62035 1.75016 1.85431 1.9405 2.01323 2.07541 2.129 2.17355 2.21162 2.24656 2.2769 2.30316 2.32578 2.34509 2.36141 2.37498 2.38603 2.39474 2.40128 2.40581 2.40844 2.40929 2.40888 2.40753 2.40505 2.40116 2.39554 2.38777 2.37728 2.36332 2.34488 2.32054 2.28829 2.24513 2.18651 2.10509 1.98832 1.81288 1.53026 1.02013 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.9213141977264598e-19 2.32269148807614e-19 2.5960869089018997e-19 2.80406545776144e-19 2.97093215419254e-19 3.1090237582769994e-19 3.2255500648678198e-19 3.3251734079699402e-19 3.411034053786e-19 3.4824110228307e-19 3.5434058872870797e-19 3.59938593887904e-19 3.6479959779546e-19 3.6900691363634397e-19 3.72631037182452e-19 3.7572484026270595e-19 3.7833959252939396e-19 3.8051374622173196e-19 3.8228415140230193e-19 3.83679647250516e-19 3.8472747076915197e-19 3.8545325678435395e-19 3.85874629239096e-19 3.86010814252986e-19 3.85945125010992e-19 3.8572883116540196e-19 3.8533149136017e-19 3.8470824464954396e-19 3.8380782138123597e-19 3.82562930136618e-19 3.8088224684755195e-19 3.7864560826648793e-19 3.7569119455339195e-19 3.717914966262359e-19 3.6662447698158596e-19 3.5970948262924197e-19 3.50317523200734e-19 3.37272601046706e-19 3.18563984491488e-19 2.90455397624592e-19 2.4517468159448397e-19 1.6344284496424198e-19 ] } }