{ "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" [ "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" [ 5.92788 5.53069 5.284528 5.105678 4.965123 4.849322 4.750847 4.665183 4.589376 4.521391 4.459762 4.403403 4.351483 4.303353 4.258498 4.2165 4.177016 4.139764 4.104503 4.071032 4.039177 4.008791 3.979743 3.95192 3.932979 3.913045 3.892006 3.869735 3.846077 3.820849 3.793826 3.764733 3.733228 3.698874 3.661103 3.619161 3.572009 3.518169 3.455424 3.380232 3.286402 3.16154 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.927880000000001e-10 5.53069e-10 5.284528e-10 5.105678e-10 4.965123000000001e-10 4.849322e-10 4.750847e-10 4.665183e-10 4.589376e-10 4.521391000000001e-10 4.4597619999999997e-10 4.403403e-10 4.351483e-10 4.3033530000000004e-10 4.2584980000000007e-10 4.2165e-10 4.177016e-10 4.1397640000000004e-10 4.1045030000000006e-10 4.071032e-10 4.039177e-10 4.0087910000000004e-10 3.979743e-10 3.95192e-10 3.9329790000000003e-10 3.913045e-10 3.892006e-10 3.869735e-10 3.846077e-10 3.820849e-10 3.7938260000000004e-10 3.764733e-10 3.733228e-10 3.698874e-10 3.6611030000000003e-10 3.619161e-10 3.572009e-10 3.5181690000000003e-10 3.455424e-10 3.380232e-10 3.286402e-10 3.16154e-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" [ 1.50506 2.23716 2.83334 3.34199 3.78678 4.18018 4.53078 4.84463 5.12615 5.37876 5.60538 5.80817 5.98883 6.14894 6.28983 6.41272 6.51852 6.60808 6.68219 6.74155 6.78688 6.81865 6.83738 6.84352 6.84052 6.83061 6.81214 6.78305 6.74055 6.68106 6.5998 6.49028 6.34369 6.14756 5.88328 5.52321 5.02406 4.31459 3.26979 1.65 -1.06351 -6.21899 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.411371944901248e-19 3.5843254489889277e-19 4.539511106777473e-19 5.354458244947392e-19 6.067090384113024e-19 6.697386666735744e-19 7.259109789988224e-19 7.761952922426305e-19 8.21299768471392e-19 8.617723520894208e-19 8.980808786699904e-19 9.305714183631936e-19 9.595163411945664e-19 9.851687910701951e-19 1.0077418574806465e-18 1.0274310059736578e-18 1.0443820346217217e-18 1.0587311284376064e-18 1.0706048593743553e-18 1.0801153797954241e-18 1.0873780464175105e-18 1.092468161541792e-18 1.0954690383525504e-18 1.0964527747977217e-18 1.0959721218114815e-18 1.0943843647802689e-18 1.0914251445616513e-18 1.0867644127717442e-18 1.0799551621333441e-18 1.0704238134162049e-18 1.057404526195584e-18 1.0398574878445824e-18 1.0163711807602751e-18 9.849476906965248e-19 9.426053669620225e-19 8.849157933768768e-19 8.049431473496449e-19 6.912735226337473e-19 5.238781092925632e-19 2.64359142432e-19 -1.703930857987008e-19 -9.963920382988992e-19 ] } }