{ "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" [ "Ti" "Ti" "Ti" "Ti" ] } "a" { "source-value" [ 6.1995 5.784111 5.526669 5.339624 5.192629 5.071522 4.968535 4.878945 4.799665 4.728564 4.664112 4.605171 4.550871 4.500536 4.453626 4.409703 4.368411 4.329451 4.292574 4.257569 4.224256 4.192477 4.162097 4.133 4.113191 4.092343 4.070341 4.047049 4.022307 3.995922 3.967661 3.937235 3.904287 3.868358 3.828856 3.784992 3.73568 3.679372 3.613751 3.535113 3.436984 3.3064 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.1995e-10 5.784111e-10 5.526669000000001e-10 5.339624e-10 5.192629e-10 5.071522e-10 4.968535000000001e-10 4.878945e-10 4.799665000000001e-10 4.728564e-10 4.664112e-10 4.6051710000000004e-10 4.550871e-10 4.500536e-10 4.453626e-10 4.4097030000000007e-10 4.368411e-10 4.329451e-10 4.292574e-10 4.2575690000000003e-10 4.2242559999999995e-10 4.192477e-10 4.162097e-10 4.133e-10 4.1131909999999995e-10 4.0923429999999997e-10 4.070341e-10 4.0470490000000007e-10 4.022307e-10 3.9959220000000004e-10 3.967661e-10 3.937235e-10 3.904287e-10 3.8683580000000004e-10 3.828856e-10 3.784992e-10 3.73568e-10 3.679372e-10 3.6137510000000004e-10 3.535113e-10 3.436984e-10 3.3064e-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" [ 1.56311 2.13057 2.55702 2.89956 3.18425 3.42572 3.63321 3.81301 3.96965 4.10653 4.22627 4.33095 4.42226 4.50157 4.57006 4.6287 4.67833 4.71968 4.75338 4.77998 4.79998 4.8138 4.82185 4.82445 4.8232 4.81908 4.81147 4.79959 4.78242 4.75867 4.72662 4.68402 4.62779 4.55364 4.45551 4.32444 4.1468 3.90073 3.54909 3.02338 2.18217 0.678905 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.50437831837174e-19 3.41354947110138e-19 4.0967976966706796e-19 4.64560728088104e-19 5.1017309468145e-19 5.488608538626479e-19 5.82104416841514e-19 6.109115527208339e-19 6.3600804751581e-19 6.57938641282002e-19 6.771231042975181e-19 6.938946893022299e-19 7.085241641472839e-19 7.21231027031538e-19 7.322043347978039e-19 7.4159949857958e-19 7.495511012141219e-19 7.56176101595712e-19 7.61575436852292e-19 7.658372266987319e-19 7.690415799667319e-19 7.712557880749199e-19 7.7254554026529e-19 7.729621061901299e-19 7.727618341108799e-19 7.721017373376719e-19 7.708824809191979e-19 7.68979095078006e-19 7.66228157797428e-19 7.62422988291678e-19 7.572880121797079e-19 7.50462739718868e-19 7.414537005058859e-19 7.295735607647759e-19 7.13851401455334e-19 6.92851672313496e-19 6.6439060658712e-19 6.249658461542819e-19 5.68626906996306e-19 4.84398879170292e-19 3.49622178541578e-19 1.08772572770577e-19 ] } }