{ "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" [ "Ta" "Ta" ] } "a" { "source-value" [ 4.98516 4.651136 4.444121 4.293714 4.175512 4.078127 3.995313 3.923272 3.85952 3.802347 3.750519 3.703123 3.65946 3.618984 3.581262 3.545943 3.512739 3.481411 3.451757 3.423609 3.396821 3.371267 3.346838 3.32344 3.307511 3.290747 3.273054 3.254325 3.234429 3.213212 3.190487 3.166021 3.139526 3.110635 3.07887 3.043598 3.003945 2.958666 2.905899 2.842664 2.763756 2.65875 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.98516e-10 4.651136e-10 4.444121e-10 4.2937139999999997e-10 4.1755120000000004e-10 4.0781270000000004e-10 3.995313e-10 3.923272e-10 3.85952e-10 3.8023470000000004e-10 3.7505190000000005e-10 3.7031230000000005e-10 3.6594600000000003e-10 3.618984e-10 3.581262e-10 3.545943e-10 3.512739e-10 3.4814110000000004e-10 3.451757e-10 3.423609e-10 3.396821e-10 3.3712670000000004e-10 3.346838e-10 3.3234400000000005e-10 3.307511e-10 3.2907470000000003e-10 3.273054e-10 3.254325e-10 3.234429e-10 3.213212e-10 3.190487e-10 3.166021e-10 3.1395260000000004e-10 3.110635e-10 3.0788700000000003e-10 3.043598e-10 3.003945e-10 2.9586660000000004e-10 2.905899e-10 2.8426640000000003e-10 2.7637559999999997e-10 2.65875e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.632511 1.86257 2.47083 3.12902 3.78496 4.33605 4.75513 5.0866 5.3997 5.73296 6.09264 6.45878 6.8123 7.14178 7.43951 7.65055 7.7827 7.87089 7.93522 7.98556 8.02418 8.05158 8.06798 8.07346 8.07114 8.06373 8.05017 8.02886 7.99787 7.95489 7.89697 7.82034 7.71992 7.5853 7.3971 7.12623 6.72763 6.13479 5.249 3.97336 0.581754 -5.4719 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.013394344947974e-19 2.98416613318938e-19 3.9587060925862195e-19 5.01324273131868e-19 6.064174472624639e-19 6.9471179938557e-19 7.61855817763242e-19 8.149631666504399e-19 8.6512731706098e-19 9.18521455565664e-19 9.76148544737376e-19 1.034810640014652e-18 1.09145078837982e-18 1.1442393041168518e-18 1.191940909040934e-18 1.22575324472487e-18 1.24692600894318e-18 1.261055604678426e-18 1.2713624069649479e-18 1.279427764140504e-18 1.2856153703010119e-18 1.2900053342781719e-18 1.292632903957932e-18 1.293510896753364e-18 1.293139191774276e-18 1.2919519788884818e-18 1.2897794273727778e-18 1.2863651889657239e-18 1.281400043576958e-18 1.2745138884040258e-18 1.2652340813398978e-18 1.2529566017935558e-18 1.236867544034928e-18 1.21529904218802e-18 1.1851460779361399e-18 1.141747919450982e-18 1.077885158819742e-18 9.829017192496859e-19 8.409825151865999e-19 6.36602455047024e-19 9.320726655360359e-20 -8.766950323584598e-19 ] } }