{ "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" [ "Si" "Si" ] } "a" { "source-value" [ 4.79802 4.476535 4.277291 4.13253 4.018766 3.925036 3.845331 3.775994 3.714636 3.659609 3.609727 3.56411 3.522086 3.48313 3.446824 3.412831 3.380873 3.35072 3.32218 3.295089 3.269306 3.244711 3.2212 3.19868 3.183349 3.167214 3.150185 3.132159 3.11301 3.09259 3.070717 3.04717 3.021669 2.993863 2.963291 2.929342 2.891177 2.847599 2.796812 2.735951 2.660004 2.55894 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.798020000000001e-10 4.4765350000000003e-10 4.277291e-10 4.13253e-10 4.0187660000000007e-10 3.925036e-10 3.845331e-10 3.775994e-10 3.7146360000000004e-10 3.659609e-10 3.6097270000000003e-10 3.56411e-10 3.522086e-10 3.4831300000000004e-10 3.446824e-10 3.4128310000000004e-10 3.380873e-10 3.3507200000000003e-10 3.32218e-10 3.295089e-10 3.269306e-10 3.244711e-10 3.2212e-10 3.19868e-10 3.1833490000000004e-10 3.167214e-10 3.150185e-10 3.132159e-10 3.11301e-10 3.09259e-10 3.0707170000000003e-10 3.04717e-10 3.0216690000000005e-10 2.9938630000000005e-10 2.963291e-10 2.9293420000000004e-10 2.891177e-10 2.8475990000000003e-10 2.7968120000000003e-10 2.735951e-10 2.660004e-10 2.55894e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0 1.40364 1.78802 2.11239 2.3924 2.63734 2.85334 3.04478 3.21488 3.36617 3.50065 3.61994 3.72539 3.81814 3.89916 3.96928 4.02923 4.07966 4.12113 4.15415 4.17917 4.1966 4.20682 4.21015 4.20853 4.2032 4.19331 4.17777 4.15519 4.12376 4.08109 4.02395 3.94795 3.84691 3.71196 3.52991 3.28037 2.93028 2.42256 1.65011 0.387225 -1.93353 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 2.24887921054776e-19 2.86472386512468e-19 3.3844218998952597e-19 3.8330473791815993e-19 4.2254845239135596e-19 4.57155467685756e-19 4.878275371670519e-19 5.15080561711392e-19 5.393198920071779e-19 5.608659633812099e-19 5.79978328448196e-19 5.9687328105372595e-19 6.11733469334076e-19 6.24714304422744e-19 6.359487669803519e-19 6.4555381590118195e-19 6.536335926664439e-19 6.60277819167642e-19 6.655682064131099e-19 6.69576852351378e-19 6.7236944622444e-19 6.740068707443879e-19 6.745403955635099e-19 6.742808429488019e-19 6.734268828028799e-19 6.71842330111854e-19 6.693525476226179e-19 6.65734832783046e-19 6.606991916223839e-19 6.538627039251059e-19 6.4470786663843e-19 6.325313242200299e-19 6.163429315100939e-19 5.947215578342639e-19 5.65553932212294e-19 5.25573216487458e-19 4.69482614707752e-19 3.8813690264630395e-19 2.64376768552974e-19 6.204028471006499e-20 -3.0978565871380198e-19 ] } }