{ "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" [ "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "a" { "source-value" [ 8.89278 8.296931 7.927647 7.659343 7.448489 7.274768 7.127041 6.99853 6.884807 6.782818 6.690366 6.605818 6.527929 6.455727 6.388437 6.325433 6.266201 6.210316 6.157419 6.107207 6.05942 6.013835 5.970258 5.92852 5.900106 5.8702 5.83864 5.805229 5.769739 5.731892 5.691353 5.647709 5.600447 5.54891 5.492247 5.429327 5.358592 5.277822 5.183694 5.070893 4.930133 4.74282 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.89278e-10 8.296931000000001e-10 7.927647000000001e-10 7.659343e-10 7.448489e-10 7.274768e-10 7.127041e-10 6.99853e-10 6.884807000000001e-10 6.782818e-10 6.690366e-10 6.605818000000001e-10 6.527929000000001e-10 6.455727000000001e-10 6.388437e-10 6.325433000000001e-10 6.266201e-10 6.210316e-10 6.157419e-10 6.107207000000001e-10 6.059420000000001e-10 6.013835e-10 5.970258000000001e-10 5.92852e-10 5.900106e-10 5.8702e-10 5.83864e-10 5.805229e-10 5.769739e-10 5.731892e-10 5.691353e-10 5.647709e-10 5.600447e-10 5.54891e-10 5.492247e-10 5.429327e-10 5.358592e-10 5.277822e-10 5.183694000000001e-10 5.070893e-10 4.930133e-10 4.742820000000001e-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" [ 1.04757 1.3953 1.62889 1.81716 1.98214 2.13127 2.26756 2.39255 2.50714 2.612 2.70766 2.79454 2.87303 2.94346 3.00613 3.06131 3.10926 3.15021 3.18436 3.21193 3.23308 3.248 3.25684 3.25976 3.25833 3.25358 3.2447 3.23064 3.21002 3.18105 3.14132 3.08754 3.01517 2.91774 2.78578 2.60504 2.35302 1.99257 1.45804 0.623073 -0.786859 -3.48884 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.6783921764793797e-19 2.2355170574201997e-19 2.6097694973562595e-19 2.91141129223944e-19 3.1757383933167598e-19 3.41467099474518e-19 3.63303164819304e-19 3.8332877056766997e-19 4.01688112616676e-19 4.184885368008e-19 4.33814958481644e-19 4.47734669077836e-19 4.603101534781019e-19 4.71594283511364e-19 4.81635124476642e-19 4.90475935143054e-19 4.9815837210308395e-19 5.04719285419314e-19 5.101907186244239e-19 5.14607919604362e-19 5.17996523185272e-19 5.203869707232e-19 5.21803294867656e-19 5.22271130444784e-19 5.22042019186122e-19 5.212809852849719e-19 5.1985825243397995e-19 5.17605592086576e-19 5.14301903867268e-19 5.096603981585699e-19 5.03294950391688e-19 4.94678444454036e-19 4.83083492153778e-19 4.674734852087159e-19 4.463311623464519e-19 4.1737342186353594e-19 3.7699536633346797e-19 3.19244909560938e-19 2.3360376194373597e-19 9.982730018762819e-20 -1.260687104052606e-19 -5.58973792776456e-19 ] } }