{ "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" [ 0.351573 0.565544 0.747382 0.906256 1.04705 1.17283 1.28573 1.38731 1.47879 1.56112 1.63509 1.70135 1.76044 1.81285 1.85898 1.89919 1.93381 1.96311 1.98735 2.00676 2.02155 2.0319 2.038 2.04 2.03903 2.03581 2.02981 2.02036 2.00657 1.9873 1.96102 1.92567 1.87842 1.81526 1.7304 1.61515 1.45601 1.23088 0.9012 0.393852 -0.44737 -2.02179 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.63282045745282e-20 9.06101382298896e-20 1.1974379770721879e-19 1.4519821876223039e-19 1.6775590446297e-19 1.87908082165422e-19 2.05996656363282e-19 2.22271566611454e-19 2.36928278459286e-19 2.50118998687008e-19 2.6197029924870598e-19 2.7258632162559e-19 2.8205358335589596e-19 2.9045059109469e-19 2.97841431907332e-19 3.0428378415264597e-19 3.0983051965955397e-19 3.1452489719717397e-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 3.1419004228066798e-19 3.08526347879478e-19 3.0095606328382797e-19 2.90836715663484e-19 2.7724064474735995e-19 2.5877555904050997e-19 2.33278520087034e-19 1.9720871752579197e-19 1.4438815825607998e-19 6.310204716541679e-20 -7.1676576075258e-20 -3.23926469685486e-19 ] } }