{ "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" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 9.16359 8.549596 8.169066 7.892592 7.675316 7.496305 7.344079 7.211655 7.094469 6.989374 6.894106 6.806984 6.726723 6.652322 6.582983 6.51806 6.457024 6.399437 6.344929 6.293188 6.243946 6.196973 6.15207 6.10906 6.07978 6.048964 6.016443 5.982015 5.945443 5.906443 5.86467 5.819697 5.770995 5.717889 5.659501 5.594664 5.521775 5.438546 5.34155 5.225315 5.080268 4.88725 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.163589999999999e-10 8.549596e-10 8.169066000000001e-10 7.892592e-10 7.675316e-10 7.496305000000001e-10 7.344079e-10 7.211655e-10 7.094469e-10 6.989374e-10 6.894106e-10 6.806984e-10 6.726723e-10 6.652322e-10 6.582983e-10 6.51806e-10 6.457024e-10 6.399437e-10 6.344928999999999e-10 6.293188e-10 6.243946000000001e-10 6.196973e-10 6.152070000000001e-10 6.109060000000001e-10 6.079780000000001e-10 6.048964e-10 6.016443e-10 5.982015e-10 5.945443e-10 5.906443000000001e-10 5.86467e-10 5.819697e-10 5.770995e-10 5.717889000000001e-10 5.659501e-10 5.594664e-10 5.521775e-10 5.438546e-10 5.34155e-10 5.225315e-10 5.080268000000001e-10 4.88725e-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" [ 1.34725 1.63529 1.82398 1.96188 2.07446 2.18228 2.26083 2.32298 2.37485 2.4186 2.45562 2.48694 2.51352 2.53623 2.55667 2.57712 2.59753 2.61433 2.62635 2.63478 2.64067 2.64457 2.64677 2.64748 2.64714 2.64606 2.64408 2.64102 2.63664 2.63064 2.62263 2.6121 2.59837 2.5805 2.55719 2.5266 2.48603 2.43233 2.36179 2.25579 2.08771 1.81971 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.1585324523728e-19 2.620023406228032e-19 2.922338112806784e-19 3.1432782688151043e-19 3.3236513127847686e-19 3.4963979960394244e-19 3.622248969603264e-19 3.7218242465859837e-19 3.80492914790688e-19 3.8750243750668805e-19 3.9343369535688964e-19 3.9845171253323523e-19 4.0271029799132166e-19 4.0634884109715846e-19 4.096236901100736e-19 4.129001412996096e-19 4.1617018378266243e-19 4.1886184050560638e-19 4.20787656803808e-19 4.2213829169514243e-19 4.2308197372479364e-19 4.237068226069056e-19 4.2405930146348166e-19 4.241730560035584e-19 4.241185819984512e-19 4.239455469234048e-19 4.2362831595248644e-19 4.2313804990652165e-19 4.224362965466112e-19 4.2147499057413125e-19 4.2019164710087044e-19 4.1850455511916802e-19 4.163047666188096e-19 4.1344167699744e-19 4.097070032943552e-19 4.0480594501132804e-19 3.983059144607424e-19 3.897022260070464e-19 3.7840047212392324e-19 3.6141739994344325e-19 3.344880153010368e-19 2.915496818635968e-19 ] } }