{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Br" "Br" ] } "a" { "source-value" [ 7.77571 7.254709 6.931814 6.697213 6.512846 6.360947 6.231777 6.119409 6.019972 5.930794 5.849955 5.776028 5.707924 5.644791 5.585954 5.530864 5.479073 5.430208 5.383955 5.340051 5.298267 5.258408 5.220305 5.18381 5.158965 5.132816 5.10522 5.076006 5.044974 5.011881 4.976434 4.938273 4.896947 4.851884 4.802339 4.747322 4.685472 4.614849 4.532544 4.433913 4.310834 4.14705 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.77571e-10 7.254709000000001e-10 6.931814e-10 6.697212999999999e-10 6.512846e-10 6.360947000000001e-10 6.231777e-10 6.119409e-10 6.019972e-10 5.930794e-10 5.849955e-10 5.776028e-10 5.707924000000001e-10 5.644791e-10 5.585954e-10 5.530864000000001e-10 5.479073e-10 5.430208000000001e-10 5.383955e-10 5.340051e-10 5.298267e-10 5.258408000000001e-10 5.220305e-10 5.18381e-10 5.158965000000001e-10 5.132816e-10 5.10522e-10 5.076006e-10 5.044974e-10 5.011881e-10 4.976434e-10 4.938273e-10 4.896947e-10 4.851884000000001e-10 4.802339e-10 4.747322e-10 4.685472e-10 4.6148490000000006e-10 4.5325439999999997e-10 4.4339130000000006e-10 4.310834e-10 4.14705e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.00203094 0.0391148 0.117667 0.217036 0.320581 0.42001 0.512642 0.597998 0.676302 0.74791 0.813139 0.872244 0.925439 0.972927 1.0149 1.05157 1.08315 1.10984 1.13187 1.14945 1.16278 1.17208 1.17752 1.1793 1.17844 1.17561 1.17035 1.1621 1.15013 1.13348 1.11091 1.08073 1.04063 0.987451 0.917683 0.824123 0.696791 0.519687 0.265486 -0.116706 -0.73489 -1.87121 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.2539245862475523e-22 6.266881808726784e-21 1.885233164396736e-20 3.4773000507194885e-20 5.136273832726848e-20 6.72930202502208e-20 8.213430272401537e-20 9.580984148851585e-20 1.0835552530002816e-19 1.198283916462528e-19 1.3027922952606913e-19 1.3974889444330752e-19 1.4827167297765313e-19 1.5588008931450817e-19 1.62604905244992e-19 1.684800869134656e-19 1.7353976068195202e-19 1.778159700828672e-19 1.813455651784896e-19 1.8416219167785603e-19 1.862978931133824e-19 1.877879173707264e-19 1.886595014524416e-19 1.8894468889094402e-19 1.888069017015552e-19 1.883534857178688e-19 1.87510740815328e-19 1.86188945103168e-19 1.8427113968807043e-19 1.8160351561443842e-19 1.7798740298129282e-19 1.731520339397184e-19 1.667273056903104e-19 1.5820709063855808e-19 1.4702902479056065e-19 1.3203906032635586e-19 1.1163822497838529e-19 8.326303615336896e-20 4.253554623497088e-20 -1.8698362470708483e-20 -1.1774235768597122e-19 -2.998008914607168e-19 ] } }