{ "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" [ "Mg" "Mg" ] } "a" { "source-value" [ 6.64191 6.196877 5.921064 5.720671 5.563186 5.433437 5.323101 5.227117 5.142179 5.066005 4.996953 4.933806 4.875632 4.821705 4.771446 4.724389 4.68015 4.63841 4.598902 4.561399 4.525708 4.491661 4.459114 4.42794 4.406717 4.384382 4.360809 4.335855 4.309347 4.28108 4.250802 4.218205 4.182905 4.144412 4.102091 4.055096 4.002265 3.941939 3.871635 3.787385 3.682253 3.54235 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.641910000000001e-10 6.196876999999999e-10 5.921064e-10 5.720671000000001e-10 5.563186e-10 5.433436999999999e-10 5.323101e-10 5.227117e-10 5.142179e-10 5.066004999999999e-10 4.996953000000001e-10 4.933806e-10 4.875632000000001e-10 4.821705e-10 4.771446e-10 4.724389e-10 4.680150000000001e-10 4.6384100000000003e-10 4.598902e-10 4.561399e-10 4.525708e-10 4.491661e-10 4.459114e-10 4.4279400000000006e-10 4.4067170000000007e-10 4.384382e-10 4.360809e-10 4.3358549999999996e-10 4.309347e-10 4.28108e-10 4.2508020000000006e-10 4.2182050000000005e-10 4.182905e-10 4.1444120000000004e-10 4.102091e-10 4.055096e-10 4.0022650000000004e-10 3.941939e-10 3.871635e-10 3.787385e-10 3.6822530000000003e-10 3.54235e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.53532 0.723052 0.867678 0.987264 1.08953 1.17865 1.25721 1.32693 1.38905 1.4445 1.49399 1.53809 1.57726 1.61187 1.64226 1.66869 1.6914 1.7106 1.72646 1.73916 1.74882 1.75559 1.75957 1.76087 1.76024 1.75814 1.75422 1.74804 1.73903 1.72642 1.70922 1.68607 1.6551 1.61364 1.55786 1.48197 1.37695 1.22794 1.00892 0.670207 0.104784 -0.964024 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.576771886466561e-20 1.1584570100226818e-19 1.3901734059825024e-19 1.5817712993574914e-19 1.7456194936602242e-19 1.88840547410592e-19 2.014272469435968e-19 2.1259762234381441e-19 2.22550343512224e-19 2.3143441287456e-19 2.393635849708992e-19 2.464291838686272e-19 2.5270490969230085e-19 2.582500429768896e-19 2.6311905772750083e-19 2.673536105362752e-19 2.70992153642112e-19 2.74068332754048e-19 2.7660938487463685e-19 2.786441491830528e-19 2.8019185179874564e-19 2.812765253710272e-19 2.819141916661056e-19 2.8212247462680963e-19 2.820215374996992e-19 2.816850804093312e-19 2.810570271739776e-19 2.800668820223232e-19 2.786233208869824e-19 2.766029761681536e-19 2.738472323803776e-19 2.701381935032256e-19 2.65176252508608e-19 2.585336282387712e-19 2.4959668704794884e-19 2.3743776867269763e-19 2.20611709801056e-19 1.9673767597451523e-19 1.616468036257536e-19 1.0737899864965056e-19 1.6788247503390723e-20 -1.5445367146900994e-19 ] } }