{ "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" [ "Pb" "Pb" "Pb" "Pb" ] } "a" { "source-value" [ 7.42462 6.927144 6.618828 6.39482 6.218777 6.073737 5.950399 5.843105 5.748157 5.663006 5.585817 5.515228 5.450199 5.389917 5.333736 5.281134 5.231681 5.185022 5.140858 5.098936 5.059039 5.02098 4.984598 4.94975 4.926027 4.901059 4.874708 4.846814 4.817182 4.785583 4.751737 4.715299 4.675839 4.63281 4.585503 4.53297 4.473913 4.406478 4.327889 4.233711 4.116189 3.9598 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.424620000000001e-10 6.927144e-10 6.618828e-10 6.394820000000001e-10 6.218777e-10 6.073737000000001e-10 5.950399e-10 5.843105000000001e-10 5.748157000000001e-10 5.663006000000001e-10 5.585817e-10 5.515227999999999e-10 5.450199e-10 5.389916999999999e-10 5.333736e-10 5.281134e-10 5.231681e-10 5.185022e-10 5.140858e-10 5.098936e-10 5.059039000000001e-10 5.02098e-10 4.984598e-10 4.94975e-10 4.926027000000001e-10 4.901059e-10 4.874708e-10 4.846814000000001e-10 4.817182e-10 4.785583e-10 4.751737000000001e-10 4.715299e-10 4.675839e-10 4.6328100000000004e-10 4.5855030000000003e-10 4.53297e-10 4.473913e-10 4.406478e-10 4.327889e-10 4.233711e-10 4.1161890000000003e-10 3.9598e-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" [ 0.351538 0.565501 0.747336 0.90621 1.047 1.17279 1.28568 1.38727 1.47876 1.56109 1.63506 1.70132 1.76042 1.81283 1.85897 1.89918 1.9338 1.9631 1.98735 2.00676 2.02155 2.0319 2.038 2.04 2.03903 2.03581 2.02981 2.02036 2.00657 1.9873 1.96101 1.92566 1.87841 1.81524 1.73037 1.61511 1.45595 1.23079 0.901078 0.39367 -0.447657 -2.02229 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.632259649227905e-20 9.060324812390209e-20 1.1973642670821888e-19 1.451908475535168e-19 1.6774789219776e-19 1.879016719108032e-19 2.059886437830144e-19 2.2226515607372163e-19 2.3692346997742083e-19 2.5011419009646723e-19 2.619654905605248e-19 2.725815128499456e-19 2.820503766788736e-19 2.9044738434848643e-19 2.978398272768576e-19 3.0428217946909445e-19 3.09828914930304e-19 3.1452329242924803e-19 3.18408570734688e-19 3.215183955556608e-19 3.23888014777824e-19 3.25546267580352e-19 3.2652359531904e-19 3.2684403064320004e-19 3.266886195109824e-19 3.2617271863908485e-19 3.252114126666048e-19 3.236973557599488e-19 3.214879541998656e-19 3.18400559851584e-19 3.141884375155008e-19 3.0852474316097283e-19 3.009544586276928e-19 2.908335089140992e-19 2.7723583593336963e-19 2.587691482020288e-19 2.3326890510537603e-19 1.9719429631144323e-19 1.4436861051172224e-19 6.307288703103361e-20 -7.172255795374657e-20 -3.240065758477632e-19 ] } }