{ "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" [ 5.63225969563092e-20 9.06032488703634e-20 1.197364276947024e-19 1.45190848749714e-19 1.6774789357979998e-19 1.87901673458886e-19 2.0598864548011198e-19 2.2226515790491797e-19 2.36923471929384e-19 2.50114192157106e-19 2.61965492718804e-19 2.7258151509568795e-19 2.82050379002628e-19 2.90447386741422e-19 2.9783982973069797e-19 3.04282181976012e-19 3.0982891748292e-19 3.1452329502053997e-19 3.1840857335798996e-19 3.2151839820458395e-19 3.2388801744626997e-19 3.2554627026245995e-19 3.2652359800919994e-19 3.26844033336e-19 3.2668862220250195e-19 3.26172721326354e-19 3.2521141534595395e-19 3.2369735842682403e-19 3.21487956848538e-19 3.1840056247482e-19 3.14188440104034e-19 3.0852474570284396e-19 3.00954461107194e-19 2.90833511310216e-19 2.7723583821745797e-19 2.58769150333974e-19 2.3326890702723e-19 1.97194297936086e-19 1.443686117011452e-19 6.3072887550678e-20 -7.17225585446538e-20 -3.24006578517186e-19 ] } }