{ "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" [ "Zr" "Zr" "Zr" "Zr" ] } "a" { "source-value" [ 6.80915 6.352911 6.070152 5.864713 5.703263 5.570246 5.457132 5.358732 5.271655 5.193562 5.122772 5.058034 4.998395 4.94311 4.891586 4.843344 4.797991 4.7552 4.714697 4.67625 4.63966 4.604756 4.571389 4.53943 4.517673 4.494775 4.470609 4.445026 4.417851 4.388872 4.357831 4.324413 4.288224 4.248762 4.205376 4.157198 4.103036 4.041191 3.969117 3.882746 3.774966 3.63154 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.80915e-10 6.352911e-10 6.070152000000001e-10 5.864713e-10 5.703263e-10 5.570246e-10 5.457132e-10 5.358732e-10 5.271655000000001e-10 5.193562e-10 5.122772e-10 5.058034e-10 4.998395e-10 4.94311e-10 4.891586000000001e-10 4.843344e-10 4.797991e-10 4.7552e-10 4.714697e-10 4.676249999999999e-10 4.63966e-10 4.6047560000000004e-10 4.571389e-10 4.5394300000000006e-10 4.5176730000000005e-10 4.494775e-10 4.470609e-10 4.4450260000000007e-10 4.4178509999999997e-10 4.388872e-10 4.357831e-10 4.324413e-10 4.2882239999999996e-10 4.248762e-10 4.2053760000000004e-10 4.1571980000000003e-10 4.1030360000000003e-10 4.0411910000000007e-10 3.969117e-10 3.882746e-10 3.7749660000000004e-10 3.63154e-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" [ 0.217163 1.2582 2.26829 3.12168 3.82652 4.34553 4.67942 4.91656 5.1345 5.35048 5.54425 5.70578 5.84332 5.9669 6.07587 6.16929 6.24794 6.31373 6.36801 6.41159 6.445 6.46828 6.48157 6.48572 6.48385 6.47798 6.46775 6.45276 6.43249 6.40602 6.37276 6.33242 6.28137 6.21354 6.11982 5.9891 5.80686 5.55029 5.17827 4.64082 3.94476 3.10636 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.479334815027904e-20 2.0158586242905602e-19 3.634201207194432e-19 5.001482713618944e-19 6.130760883023617e-19 6.962306570985024e-19 7.497257322903937e-19 7.877197486760448e-19 8.226375859497601e-19 8.572413966057984e-19 8.882867729870401e-19 9.141667319428225e-19 9.362030691853058e-19 9.56002767865152e-19 9.734616865020097e-19 9.884292204935232e-19 1.0010303396161153e-18 1.0115710596043584e-18 1.0202676743020608e-18 1.0272499600155073e-18 1.0326028321056e-18 1.0363326992788224e-18 1.0384619920078656e-18 1.0391268953054976e-18 1.0388272882774081e-18 1.0378868106009985e-18 1.03624778391792e-18 1.0338461211633408e-18 1.0305985091529793e-18 1.0263575476377217e-18 1.021028708196941e-18 1.0145655277086336e-18 1.0063864160594496e-18 9.955188520405634e-19 9.805032527504256e-19 9.59559599963328e-19 9.30361533225869e-19 8.892544876660034e-19 8.296503130190017e-19 7.435413305341056e-19 6.320202246667009e-19 4.976937367788289e-19 ] } }