{ "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" [ "Si" "Si" ] } "a" { "source-value" [ 4.98625 4.652153 4.445094 4.294654 4.176426 4.07902 3.996188 3.924132 3.860367 3.803181 3.751342 3.703935 3.660263 3.619778 3.582048 3.546721 3.51351 3.482175 3.452515 3.424361 3.397567 3.372007 3.347573 3.32417 3.308238 3.29147 3.273774 3.25504 3.23514 3.213919 3.191189 3.166718 3.140217 3.11132 3.079549 3.044269 3.004607 2.959319 2.906541 2.843293 2.764368 2.65934 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.98625e-10 4.652153e-10 4.445094e-10 4.2946540000000005e-10 4.176426e-10 4.07902e-10 3.9961880000000004e-10 3.9241320000000003e-10 3.8603670000000003e-10 3.803181e-10 3.751342e-10 3.7039350000000003e-10 3.6602630000000004e-10 3.6197780000000005e-10 3.582048e-10 3.5467209999999997e-10 3.5135100000000004e-10 3.482175e-10 3.4525150000000004e-10 3.4243610000000006e-10 3.397567e-10 3.372007e-10 3.347573e-10 3.32417e-10 3.3082379999999997e-10 3.29147e-10 3.273774e-10 3.2550400000000005e-10 3.23514e-10 3.2139190000000005e-10 3.1911890000000004e-10 3.166718e-10 3.140217e-10 3.11132e-10 3.079549e-10 3.044269e-10 3.0046070000000003e-10 2.959319e-10 2.906541e-10 2.843293e-10 2.7643680000000004e-10 2.65934e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0 0.786686 1.70568 2.002 2.26399 2.50956 2.77814 3.05799 3.29946 3.46828 3.55753 3.60266 3.64828 3.70429 3.77762 3.87166 3.96686 4.0551 4.13166 4.18972 4.22981 4.2529 4.26027 4.25683 4.24578 4.22596 4.19611 4.15493 4.10111 4.03348 3.95117 3.8539 3.74254 3.6197 3.49026 3.32326 3.07583 2.69911 2.09942 1.0745 -0.899166 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 1.260409917110669e-19 2.7328006185661443e-19 3.2075575948415996e-19 3.6273118477249926e-19 4.0207583604948483e-19 4.451070957309312e-19 4.899440084640192e-19 5.286317673264768e-19 5.556797130388224e-19 5.699791393794624e-19 5.772097624691328e-19 5.845188922132225e-19 5.934926834663232e-19 6.052414446266497e-19 6.203083135686529e-19 6.355610349986689e-19 6.496986415006081e-19 6.619649057094529e-19 6.712671431698177e-19 6.776902692426048e-19 6.813896950600321e-19 6.825704992295617e-19 6.820193504720064e-19 6.802489453060224e-19 6.770734312435967e-19 6.722909340305088e-19 6.656931707060545e-19 6.570702561329089e-19 6.462347356464384e-19 6.330472198806336e-19 6.17462847890112e-19 5.996210090408832e-19 5.79939871430976e-19 5.592012972513409e-19 5.324449476839808e-19 4.928022915555264e-19 4.3244509389674883e-19 3.3636416412399357e-19 1.7215387790496e-19 -1.440622743418253e-19 ] } }