{ "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" [ 1.921314181897152e-19 2.322691468939968e-19 2.59608688751328e-19 2.804065434659328e-19 2.970932129715648e-19 3.1090237326624e-19 3.2255500382931845e-19 3.3251733805745286e-19 3.4110340256832003e-19 3.4824109941398405e-19 3.543405858093696e-19 3.5993859092244484e-19 3.6479959478995203e-19 3.6900691059617284e-19 3.726310341124224e-19 3.757248371671872e-19 3.7833958941233278e-19 3.8051374308675842e-19 3.822841482527424e-19 3.8367964408945925e-19 3.847274675994624e-19 3.854532536086848e-19 3.8587462605995525e-19 3.860108110727232e-19 3.8594512183127043e-19 3.857288279874624e-19 3.8533148818550405e-19 3.8470824148001283e-19 3.8380781821912323e-19 3.8256292698476164e-19 3.808822437095424e-19 3.786456051469056e-19 3.756911914581504e-19 3.717914935631232e-19 3.6662447396104323e-19 3.597094796656704e-19 3.5031752031454083e-19 3.372725982679872e-19 3.1856398186690565e-19 2.9045539523159043e-19 2.451746795745408e-19 1.634428436176704e-19 ] } }