{ "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" [ "Mg" "Mg" "Mg" "Mg" ] } "a" { "source-value" [ 8.37388 7.8128 7.465065 7.212417 7.013866 6.850282 6.711175 6.590163 6.483076 6.387038 6.299981 6.220366 6.147023 6.079034 6.01567 5.956342 5.900567 5.847943 5.798132 5.75085 5.705852 5.662927 5.621893 5.58259 5.555833 5.527673 5.497954 5.466493 5.433073 5.397434 5.35926 5.318163 5.273658 5.225128 5.171772 5.112522 5.045914 4.969858 4.881221 4.775002 4.642455 4.46607 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.37388e-10 7.8128e-10 7.465065000000001e-10 7.212417e-10 7.013866e-10 6.850282e-10 6.711175e-10 6.590163e-10 6.483076e-10 6.387038e-10 6.299981e-10 6.220366e-10 6.147023e-10 6.079034e-10 6.01567e-10 5.956342e-10 5.900567e-10 5.847943e-10 5.798132e-10 5.75085e-10 5.705852e-10 5.662927e-10 5.621893e-10 5.58259e-10 5.555833e-10 5.527673e-10 5.497954e-10 5.466493e-10 5.433073e-10 5.397434e-10 5.35926e-10 5.318163e-10 5.273658e-10 5.225128e-10 5.171772e-10 5.112522e-10 5.045914e-10 4.969858000000001e-10 4.881221e-10 4.775002e-10 4.6424550000000004e-10 4.4660700000000005e-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" [ 0.554163 0.749215 0.899378 1.02357 1.12982 1.22246 1.30417 1.37673 1.44141 1.49917 1.55075 1.59673 1.63758 1.67369 1.70541 1.733 1.75671 1.77677 1.79334 1.80661 1.81671 1.82378 1.82794 1.82931 1.82864 1.82644 1.82235 1.81588 1.80645 1.79326 1.77527 1.75104 1.71862 1.67522 1.61683 1.53738 1.42743 1.27141 1.0421 0.687477 0.0955983 -1.02278 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.878670027123904e-20 1.200374756952672e-19 1.4409624048618624e-19 1.6399399237522563e-19 1.810171189712256e-19 1.9585968318631683e-19 2.0895106835487363e-19 2.205764619153984e-19 2.3093934029873283e-19 2.401935124604736e-19 2.4845753947056e-19 2.558243475729984e-19 2.623692390689664e-19 2.681546988466752e-19 2.732368030878528e-19 2.7765720838464004e-19 2.814559691525568e-19 2.8466993545388163e-19 2.873247421145472e-19 2.894508304903488e-19 2.910690288773568e-19 2.922017677482624e-19 2.928682732225152e-19 2.930877714195648e-19 2.9298042558597123e-19 2.9262794672939523e-19 2.91972656491488e-19 2.909360482178304e-19 2.89425195664416e-19 2.873119247015808e-19 2.844296089607616e-19 2.805475350085632e-19 2.753532784039296e-19 2.683998318696576e-19 2.590447225808064e-19 2.4631542932855043e-19 2.286994973828544e-19 2.037023377451328e-19 1.6696282565356802e-19 1.1014595767377218e-19 1.5316536124822466e-20 -1.6386742042218242e-19 ] } }