{ "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" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 8.1441 7.598415 7.260222 7.014506 6.821403 6.662308 6.527018 6.409326 6.305178 6.211775 6.127106 6.049677 5.978345 5.912222 5.850597 5.792897 5.738652 5.687472 5.639028 5.593043 5.54928 5.507533 5.467625 5.4294 5.403378 5.37599 5.347086 5.316489 5.283986 5.249325 5.212199 5.17223 5.128946 5.081748 5.029856 4.972232 4.907452 4.833482 4.747278 4.643974 4.515064 4.34352 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.1441e-10 7.598415e-10 7.260222e-10 7.014506e-10 6.821403000000001e-10 6.662308e-10 6.527018e-10 6.409326000000001e-10 6.305178e-10 6.211775e-10 6.127106e-10 6.049677e-10 5.978345e-10 5.912222e-10 5.850597e-10 5.792897e-10 5.738652e-10 5.687472e-10 5.639027999999999e-10 5.593042999999999e-10 5.54928e-10 5.507533e-10 5.467625000000001e-10 5.429400000000001e-10 5.403378e-10 5.37599e-10 5.347086e-10 5.316489e-10 5.283986e-10 5.249325e-10 5.212199000000001e-10 5.17223e-10 5.128946e-10 5.081748e-10 5.029856e-10 4.972232000000001e-10 4.907452e-10 4.833482e-10 4.747278e-10 4.643974e-10 4.515064e-10 4.34352e-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" [ 0.00576446 0.376934 1.01906 1.62092 2.13031 2.55375 2.90605 3.20073 3.44856 3.65794 3.83538 3.98595 4.11371 4.22187 4.31304 4.38939 4.45266 4.50436 4.54573 4.57784 4.60158 4.61775 4.62703 4.63 4.62859 4.624 4.61561 4.60262 4.58404 4.55861 4.5247 4.48014 4.42208 4.34693 4.2506 4.1276 3.96421 3.71806 3.26671 2.26787 -0.278109 -7.65601 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.235683043536768e-22 6.039148423846272e-20 1.6327141071924483e-19 2.597000128187136e-19 3.4131328770564484e-19 4.0915585453680004e-19 4.65600536887584e-19 5.128134775493184e-19 5.525202207426048e-19 5.860665948289152e-19 6.144956167883904e-19 6.38619590167776e-19 6.590889986751169e-19 6.764181410056897e-19 6.910251852575232e-19 7.032578037573312e-19 7.133947752371328e-19 7.216780283666689e-19 7.283062330469184e-19 7.334508221763072e-19 7.372543894740865e-19 7.398451090699201e-19 7.413319289740225e-19 7.418077754304e-19 7.415818685268673e-19 7.4084646945792e-19 7.395022432730689e-19 7.374210158426496e-19 7.344441716812032e-19 7.303698365345088e-19 7.249368556133761e-19 7.177975565910912e-19 7.084953191307265e-19 6.964549618254145e-19 6.810211944372481e-19 6.613144220014081e-19 6.3513645819415685e-19 5.9569888067316485e-19 5.233846388933568e-19 3.633528293013696e-19 -4.4557973783406723e-20 -1.2266280230611008e-18 ] } }