{ "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" [ "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" [ 5.9493 5.550675 5.303623 5.124127 4.983064 4.866845 4.768014 4.68204 4.60596 4.537728 4.475877 4.419315 4.367207 4.318903 4.273886 4.231736 4.19211 4.154722 4.119334 4.085742 4.053773 4.023276 3.994123 3.9662 3.947191 3.927184 3.90607 3.883718 3.859974 3.834654 3.807534 3.778336 3.746717 3.712238 3.674331 3.632237 3.584915 3.53088 3.467907 3.392443 3.298274 3.17296 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.9493e-10 5.550675000000001e-10 5.303623e-10 5.124127e-10 4.983064e-10 4.866845e-10 4.768014e-10 4.68204e-10 4.6059599999999996e-10 4.5377280000000004e-10 4.475877e-10 4.419315e-10 4.367207e-10 4.318903e-10 4.2738860000000003e-10 4.231736e-10 4.1921099999999995e-10 4.154722e-10 4.1193340000000004e-10 4.085742e-10 4.0537729999999997e-10 4.023276e-10 3.9941230000000003e-10 3.9662e-10 3.9471910000000003e-10 3.927184e-10 3.9060700000000003e-10 3.8837180000000003e-10 3.859974e-10 3.834654e-10 3.807534e-10 3.778336e-10 3.746717e-10 3.712238e-10 3.674331e-10 3.632237e-10 3.5849150000000003e-10 3.53088e-10 3.467907e-10 3.3924430000000004e-10 3.2982740000000004e-10 3.17296e-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" [ 1.37067 2.055 2.60213 3.0966 3.52803 3.90824 4.24566 4.54621 4.81429 5.05868 5.27879 5.47496 5.64898 5.80237 5.93642 6.05225 6.15085 6.23307 6.29967 6.35549 6.40079 6.43256 6.45128 6.45743 6.45443 6.4445 6.42599 6.39677 6.35409 6.29434 6.21271 6.10268 5.95524 5.76056 5.49782 5.1392 4.64122 3.93216 2.8859 1.30581 -1.35179 -6.41814 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.196055428831936e-19 3.2924729557440005e-19 4.169071850282304e-19 4.96130012396928e-19 5.652527183481024e-19 6.261690756475393e-19 6.802297191865728e-19 7.283831375247169e-19 7.713342883751232e-19 8.104898828108544e-19 8.457553924112833e-19 8.771852911815169e-19 9.050663687366784e-19 9.296421559231296e-19 9.511193335249537e-19 9.6967734532368e-19 9.85474806804768e-19 9.986479029809856e-19 1.0093183992755136e-18 1.0182617491728192e-18 1.0255196092650433e-18 1.0306097243893249e-18 1.0336089990234625e-18 1.0345943376452544e-18 1.0341136846590144e-18 1.03252272327456e-18 1.0295570943494592e-18 1.0248755342634817e-18 1.0180374444459074e-18 1.0084644391366273e-18 9.95385871381037e-19 9.777571220223745e-19 9.541346299252993e-19 9.229434554715649e-19 8.808478669366657e-19 8.23390608961536e-19 7.436054175989376e-19 6.300014821244928e-19 4.62372150996672e-19 2.092138253206848e-19 -2.1658063342312321e-19 -1.0282993857021312e-18 ] } }