{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" ] } "a" { "source-value" [ 5.80781 5.418665 5.177488 5.00226 4.864552 4.751097 4.654616 4.570687 4.496415 4.429807 4.369427 4.314209 4.263341 4.216186 4.172239 4.131091 4.092407 4.055909 4.021362 3.988569 3.95736 3.927589 3.899129 3.87187 3.853313 3.833782 3.81317 3.79135 3.768171 3.743454 3.716978 3.688475 3.657608 3.62395 3.586944 3.545851 3.499655 3.446905 3.385431 3.311762 3.219833 3.0975 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.80781e-10 5.418665e-10 5.177488e-10 5.00226e-10 4.864552e-10 4.751097e-10 4.654616e-10 4.5706870000000006e-10 4.496415e-10 4.429807e-10 4.3694270000000003e-10 4.314209e-10 4.263341e-10 4.2161860000000006e-10 4.1722390000000004e-10 4.1310909999999995e-10 4.092407e-10 4.0559089999999997e-10 4.021362e-10 3.988569e-10 3.9573600000000004e-10 3.9275890000000006e-10 3.899129e-10 3.87187e-10 3.853313e-10 3.833782e-10 3.81317e-10 3.79135e-10 3.7681710000000006e-10 3.743454e-10 3.7169780000000004e-10 3.688475e-10 3.6576080000000003e-10 3.6239499999999997e-10 3.586944e-10 3.545851e-10 3.4996550000000005e-10 3.4469050000000003e-10 3.385431e-10 3.311762e-10 3.2198330000000003e-10 3.0975000000000004e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0.208575 -0.104342 -0.255181 -0.284032 -0.226597 -0.102405 0.0782809 0.306442 0.57228 0.866154 1.17846 1.50008 1.82254 2.13894 2.44774 2.7441 3.02296 3.27949 3.50901 3.707 3.86897 3.99042 4.06676 4.09326 4.07941 4.03182 3.9391 3.78571 3.55021 3.20259 2.70009 1.98054 0.951204 -0.53014 -2.68692 -5.88442 -10.7608 -18.4948 -31.4486 -54.9026 -102.641 -220.467 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.3417398868336005e-20 -1.6717431296751362e-20 -4.088450322723648e-20 -4.5506942995906563e-20 -3.6304841574341763e-20 -1.64070896853024e-20 1.2541982783518273e-20 4.909742080311936e-20 9.16893636551424e-20 1.3877316888124033e-19 1.8881010605479681e-19 2.4033931053296643e-19 2.920030978472832e-19 3.4269596612939517e-19 3.9217118017969925e-19 4.39653286513728e-19 4.843315837613568e-19 5.254322206147392e-19 5.622053784153408e-19 5.9392687333056e-19 6.198773280576576e-19 6.393357631172736e-19 6.515667794404609e-19 6.558125474855809e-19 6.535935328657729e-19 6.4596877432738555e-19 6.31113392699328e-19 6.065376055128768e-19 5.688063460930368e-19 5.131114824007872e-19 4.326021072055872e-19 3.173174884559232e-19 1.5239968104114434e-19 -8.49377913750912e-20 -4.3049204059599364e-19 -9.427880150967938e-19 -1.7240702181104641e-18 -2.9631936166371842e-18 -5.038621167689088e-18 -8.796366214113408e-18 -1.6444901053553282e-17 -3.532270730579136e-17 ] } }