{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" ] } "a" { "source-value" [ 12.122 11.309781 10.806399 10.440666 10.153244 9.916441 9.715069 9.539892 9.384873 9.245849 9.119824 9.004575 8.898403 8.799981 8.708256 8.622373 8.541633 8.465454 8.393349 8.324903 8.259764 8.197626 8.138225 8.08133 8.042597 8.001833 7.958811 7.913268 7.86489 7.813299 7.758039 7.698547 7.634122 7.56387 7.486631 7.400862 7.30444 7.194341 7.066031 6.912268 6.720394 6.46506 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.2122e-09 1.1309781e-09 1.0806399e-09 1.0440666e-09 1.0153244000000001e-09 9.916441000000002e-10 9.715069e-10 9.539892e-10 9.384873000000001e-10 9.245849e-10 9.119824e-10 9.004575000000001e-10 8.898403e-10 8.799981000000001e-10 8.708256e-10 8.622373e-10 8.541633e-10 8.465453999999999e-10 8.393349e-10 8.324903000000001e-10 8.259764000000001e-10 8.197626e-10 8.138225000000001e-10 8.08133e-10 8.042597000000001e-10 8.001832999999999e-10 7.958811e-10 7.913268000000001e-10 7.86489e-10 7.813299e-10 7.758039000000001e-10 7.698547e-10 7.634122e-10 7.56387e-10 7.486631e-10 7.400862e-10 7.304439999999999e-10 7.194341e-10 7.066031e-10 6.912268e-10 6.720394e-10 6.46506e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 1.25005 1.4793 1.63866 1.76085 1.85915 1.9405 2.00901 2.06741 2.11758 2.16089 2.19836 2.23081 2.25887 2.28305 2.30378 2.32141 2.33624 2.34852 2.35848 2.3663 2.37215 2.37617 2.37851 2.37926 2.3789 2.37772 2.37554 2.37215 2.36727 2.36053 2.35148 2.33949 2.32373 2.30305 2.2758 2.2396 2.19082 2.12369 2.02848 1.88737 1.66396 1.27007 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.0028008848310403e-19 2.37009987514944e-19 2.625422741440128e-19 2.8211927027356803e-19 2.9786866645603203e-19 3.1090237326624e-19 3.218788852953408e-19 3.3123559676081285e-19 3.392737168673664e-19 3.4621274381205124e-19 3.5221609961018885e-19 3.574151627446848e-19 3.6191087034264963e-19 3.65784933411744e-19 3.6910624554666247e-19 3.7193088292913285e-19 3.7430691085777926e-19 3.7627438374812165e-19 3.7787015166243844e-19 3.79123053779904e-19 3.80060327103072e-19 3.8070440210463363e-19 3.8107931143390083e-19 3.811994746804608e-19 3.81141796322112e-19 3.8095273948085764e-19 3.806034649775232e-19 3.80060327103072e-19 3.7927846491212163e-19 3.781985978697024e-19 3.7674862802787843e-19 3.7482761825953925e-19 3.723025879051584e-19 3.68989286653344e-19 3.64623355361664e-19 3.58823475994368e-19 3.510080584381056e-19 3.402526467826752e-19 3.2499832317603843e-19 3.0239000887992963e-19 2.6659578099463684e-19 2.0348764607794562e-19 ] } }