{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Pd" "Pd" ] } "a" { "source-value" [ 4.6784 4.364929 4.170653 4.0295 3.918572 3.827179 3.749461 3.681852 3.622024 3.568368 3.51973 3.47525 3.434274 3.396289 3.360888 3.327742 3.296581 3.26718 3.239352 3.212935 3.187795 3.163814 3.140888 3.11893 3.103981 3.088248 3.071645 3.054067 3.035396 3.015485 2.994158 2.971197 2.946333 2.919219 2.889409 2.856307 2.819094 2.776602 2.727081 2.667737 2.593685 2.49514 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.6784e-10 4.364929e-10 4.170653e-10 4.0295e-10 3.918572e-10 3.827179e-10 3.7494610000000003e-10 3.681852e-10 3.6220240000000004e-10 3.568368e-10 3.51973e-10 3.47525e-10 3.4342739999999997e-10 3.396289e-10 3.360888e-10 3.327742e-10 3.2965810000000004e-10 3.26718e-10 3.239352e-10 3.212935e-10 3.187795e-10 3.163814e-10 3.140888e-10 3.11893e-10 3.103981e-10 3.088248e-10 3.0716450000000004e-10 3.054067e-10 3.035396e-10 3.015485e-10 2.9941580000000004e-10 2.971197e-10 2.946333e-10 2.919219e-10 2.889409e-10 2.8563070000000004e-10 2.8190940000000003e-10 2.776602e-10 2.727081e-10 2.667737e-10 2.593685e-10 2.4951400000000003e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.706816 1.13688 1.46534 1.74808 1.99735 2.21848 2.41608 2.59438 2.75681 2.90605 3.04401 3.17169 3.28927 3.39634 3.49225 3.57655 3.64909 3.71007 3.75994 3.79924 3.82858 3.84857 3.86001 3.86365 3.86194 3.85639 3.84633 3.8309 3.8091 3.77972 3.74114 3.68949 3.61997 3.52607 3.39788 3.21985 2.96697 2.59761 2.03901 1.15385 -0.349329 -3.2209 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.1324440704073728e-19 1.821482556655104e-19 2.3477334895230724e-19 2.800732907288064e-19 3.20010747355488e-19 3.5543967897123844e-19 3.8709868899824644e-19 4.1566549814711044e-19 4.416896529987649e-19 4.65600536887584e-19 4.877041655481408e-19 5.081607566425153e-19 5.269991493498817e-19 5.441536544287872e-19 5.5952013039888005e-19 5.730264793122241e-19 5.846486685195073e-19 5.944187415531456e-19 6.024087963610752e-19 6.087053504808192e-19 6.134061366862464e-19 6.166088877512256e-19 6.184417778054208e-19 6.19024970095392e-19 6.187509978932352e-19 6.178617898686913e-19 6.162500001881664e-19 6.13777841662272e-19 6.10285096628928e-19 6.055779017170177e-19 5.993967043139713e-19 5.911214620675393e-19 5.799831301997376e-19 5.6493869173042565e-19 5.444003896283904e-19 5.158768392482881e-19 4.753609968614976e-19 4.1618300119562883e-19 3.2668541515774085e-19 1.8486714939100802e-19 -5.596867567674433e-20 -5.16045067793472e-19 ] } }