{ "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" [ "Fe" "Fe" ] } "a" { "source-value" [ 4.28292 3.995949 3.818095 3.688875 3.587324 3.503657 3.432509 3.370616 3.315845 3.266725 3.222198 3.181479 3.143966 3.109192 3.076784 3.04644 3.017913 2.990998 2.965522 2.941339 2.918324 2.896369 2.875382 2.85528 2.834958 2.814016 2.792415 2.770112 2.74706 2.723207 2.698496 2.672862 2.646233 2.61853 2.589662 2.559526 2.528007 2.494971 2.460264 2.423709 2.385098 2.344185 2.300678 2.254227 2.204404 2.15068 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.28292e-10 3.995949e-10 3.818095e-10 3.688875e-10 3.5873240000000005e-10 3.5036570000000003e-10 3.432509e-10 3.370616e-10 3.315845e-10 3.2667250000000004e-10 3.2221980000000004e-10 3.181479e-10 3.1439659999999997e-10 3.1091920000000005e-10 3.076784e-10 3.0464400000000003e-10 3.017913e-10 2.9909979999999997e-10 2.965522e-10 2.9413390000000005e-10 2.918324e-10 2.896369e-10 2.875382e-10 2.8552800000000003e-10 2.834958e-10 2.814016e-10 2.792415e-10 2.7701120000000003e-10 2.74706e-10 2.723207e-10 2.6984960000000003e-10 2.672862e-10 2.6462330000000003e-10 2.61853e-10 2.589662e-10 2.559526e-10 2.528007e-10 2.494971e-10 2.460264e-10 2.4237090000000004e-10 2.385098e-10 2.344185e-10 2.300678e-10 2.2542270000000002e-10 2.204404e-10 2.15068e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.631913 1.17426 1.67261 2.03454 2.33398 2.60078 2.83201 3.02746 3.19368 3.34084 3.47503 3.59553 3.70007 3.7877 3.85872 3.9166 3.96458 4.0051 4.03994 4.06971 4.09338 4.11009 4.11949 4.1224 4.11949 4.11053 4.09516 4.07303 4.04288 4.00112 3.9431 3.8633 3.75768 3.62298 3.45519 3.2496 3.00028 2.69263 2.29249 1.7519 1.0057 -0.0393264 -1.57158 -3.99095 -7.29654 -11.7707 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.0124362433208418e-19 1.88137193424084e-19 2.67981665979474e-19 3.2596924489383594e-19 3.7394482202233197e-19 4.1669089461745196e-19 4.537380249254339e-19 4.85052567236964e-19 5.11683947247312e-19 5.352615785932559e-19 5.567611868449019e-19 5.76067415284602e-19 5.92816569816438e-19 6.0685644366018e-19 6.18235102114848e-19 6.2750850047244e-19 6.35195743962372e-19 6.416877636833399e-19 6.472697470761959e-19 6.520394269156139e-19 6.558317790082919e-19 6.585090161637059e-19 6.60015062199666e-19 6.6048129560016e-19 6.60015062199666e-19 6.585795119356019e-19 6.561169664491439e-19 6.52571349558102e-19 6.47740787006592e-19 6.4105009738300795e-19 6.317542685525399e-19 6.1896889901322e-19 6.020467094049119e-19 5.80465390144932e-19 5.53582468403046e-19 5.2064331898464e-19 4.806978511457519e-19 4.3140688700074194e-19 3.6729739116786598e-19 2.8068532451046e-19 1.6113090408138e-19 -6.3007839179337595e-21 -2.51794875446172e-19 -6.3942068374623e-19 -1.1690345897046359e-18 -1.88587405058238e-18 ] } }