{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Ir" "Ir" "Ir" "Ir" ] } "a" { "source-value" [ 5.81734 5.427557 5.185986 5.010471 4.872538 4.758896 4.662258 4.578191 4.503798 4.43708 4.376601 4.321294 4.270342 4.223109 4.179091 4.137876 4.099129 4.06257 4.027967 3.99512 3.96386 3.93404 3.905534 3.87823 3.859642 3.840079 3.819433 3.797577 3.77436 3.749601 3.723082 3.694532 3.663614 3.6299 3.592833 3.551672 3.5054 3.452563 3.390987 3.317196 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.817339999999999e-10 5.427557000000001e-10 5.185986e-10 5.010471e-10 4.872538e-10 4.758896e-10 4.662258e-10 4.5781910000000005e-10 4.503798e-10 4.43708e-10 4.376601e-10 4.321294e-10 4.2703420000000007e-10 4.223109e-10 4.179091e-10 4.1378760000000004e-10 4.099129e-10 4.0625700000000003e-10 4.0279670000000003e-10 3.99512e-10 3.9638600000000003e-10 3.93404e-10 3.905534e-10 3.87823e-10 3.859642e-10 3.840079e-10 3.8194330000000005e-10 3.7975770000000003e-10 3.77436e-10 3.7496010000000005e-10 3.7230819999999997e-10 3.6945320000000004e-10 3.663614e-10 3.6299e-10 3.5928330000000004e-10 3.551672e-10 3.5054e-10 3.452563e-10 3.390987e-10 3.317196e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 5.0055 7.47921 9.66821 11.6715 13.5326 15.2738 16.915 18.4595 19.9103 21.274 22.5491 23.7358 24.8349 25.8474 26.7701 27.6021 28.3421 28.9906 29.5437 29.9997 30.3567 30.6141 30.7727 30.826 30.7992 30.7088 30.5366 30.2589 29.8432 29.2459 28.4064 27.239 25.6206 23.3708 20.2038 15.6697 9.01667 -1.09591 -17.2316 -44.8782 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.0196950754144e-19 1.1983015404053568e-18 1.549018002698477e-18 1.86998044296672e-18 2.168161533863808e-18 2.447132527077504e-18 2.7100817540832e-18 2.95753793316576e-18 3.189981717311424e-18 3.4084705430899205e-18 3.612764084008128e-18 3.802894383598465e-18 3.978989615990592e-18 4.141209998846593e-18 4.289042835647808e-18 4.422343930498368e-18 4.540905000437568e-18 4.6448061542964486e-18 4.733422543192897e-18 4.806481797101376e-18 4.863679502463936e-18 4.904919528683328e-18 4.930330049889217e-18 4.93886965127808e-18 4.934575817934336e-18 4.920092141282304e-18 4.892502659872128e-18 4.8480102151125124e-18 4.781407732985856e-18 4.685709723425472e-18 4.551206996109312e-18 4.364168897397121e-18 4.104872633086848e-18 3.744414936939264e-18 3.2370056011319043e-18 2.5105626994949763e-18 1.4446297871468737e-18 -1.755841380500928e-19 -2.7608066658977283e-18 -7.190280282358657e-18 ] } }