{ "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" [ "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" ] } "a" { "source-value" [ 10.3291 9.637013 9.208085 8.896446 8.651535 8.449757 8.278169 8.128902 7.996811 7.878349 7.770964 7.672761 7.582293 7.498428 7.42027 7.34709 7.278291 7.21338 7.151939 7.093617 7.038112 6.985165 6.93455 6.88607 6.853066 6.818331 6.781673 6.742866 6.701643 6.657683 6.610596 6.559904 6.505007 6.445146 6.379332 6.306249 6.224089 6.130274 6.020942 5.889923 5.726428 5.50886 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.0329100000000001e-09 9.637013e-10 9.208085000000001e-10 8.896446e-10 8.651535000000001e-10 8.449757e-10 8.278169000000001e-10 8.128902e-10 7.996811e-10 7.878349000000001e-10 7.770964e-10 7.672761000000001e-10 7.582293000000001e-10 7.498428e-10 7.42027e-10 7.34709e-10 7.278291000000001e-10 7.21338e-10 7.151939e-10 7.093617e-10 7.038112e-10 6.985165e-10 6.93455e-10 6.88607e-10 6.853066e-10 6.818331e-10 6.781673e-10 6.742866e-10 6.701643e-10 6.657682999999999e-10 6.610596000000001e-10 6.559904e-10 6.505007e-10 6.445146e-10 6.379332e-10 6.306249000000001e-10 6.224089000000001e-10 6.130274e-10 6.020942e-10 5.889923e-10 5.726428000000001e-10 5.50886e-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" [ 9.13388e-24 0.0065343 0.0811347 0.206577 0.339072 0.461907 0.570758 0.665548 0.747508 0.818147 0.878913 0.931084 0.975756 1.01386 1.04618 1.07338 1.09602 1.11459 1.1295 1.1411 1.1497 1.15557 1.15894 1.16003 1.15951 1.15784 1.15477 1.15001 1.1432 1.13388 1.12142 1.10503 1.08365 1.05579 1.01939 0.97144 0.907389 0.820077 0.698123 0.516778 0.161225 -0.875376 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.4634088993192706e-42 1.046910269329344e-21 1.2999211947562177e-20 3.3097283979500164e-20 5.432532311678976e-20 7.400565963838657e-20 9.144551237345664e-20 1.0663254456201985e-19 1.1976398414609664e-19 1.3108159957776577e-19 1.4081738603171906e-19 1.4917610168009473e-19 1.563333450805325e-19 1.624382788764288e-19 1.6761651371485443e-19 1.719744341234304e-19 1.756017619929216e-19 1.785770039777472e-19 1.8096584931936e-19 1.82824374199488e-19 1.8420224609337601e-19 1.851427237697856e-19 1.8568265729099522e-19 1.858572945426624e-19 1.8577398135838082e-19 1.855064178627072e-19 1.8501454964012161e-19 1.842519135686208e-19 1.83160831289856e-19 1.8166760267927041e-19 1.7967129060975364e-19 1.770453231282624e-19 1.7361986951299201e-19 1.691562054474432e-19 1.6332428254773122e-19 1.556418456509952e-19 1.4537974417710913e-19 1.3139081966558015e-19 1.1185163490427586e-19 8.279696297437824e-20 2.5831092568848002e-20 -1.402506961609421e-19 ] } }