{ "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" [ "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" ] } "a" { "source-value" [ 2.83352 2.643663 2.525997 2.440507 2.373322 2.317969 2.270898 2.22995 2.193714 2.161217 2.131759 2.104819 2.080001 2.056995 2.035554 2.015479 1.996606 1.978799 1.961945 1.945945 1.930719 1.916194 1.902309 1.88901 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.8335200000000003e-10 2.643663e-10 2.525997e-10 2.440507e-10 2.373322e-10 2.3179690000000004e-10 2.270898e-10 2.2299500000000001e-10 2.193714e-10 2.1612170000000002e-10 2.1317590000000002e-10 2.1048190000000002e-10 2.0800010000000004e-10 2.0569950000000002e-10 2.035554e-10 2.0154790000000002e-10 1.9966060000000002e-10 1.978799e-10 1.961945e-10 1.945945e-10 1.9307190000000002e-10 1.916194e-10 1.902309e-10 1.8890100000000002e-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" [ 5.41022 -6.54064 -1.9282 2.46822 6.44698 10.289 13.5192 16.2586 18.7751 21.0047 23.0231 24.8766 26.6273 28.3678 30.0722 31.6579 33.0382 34.2388 35.2589 36.0964 36.7034 37.1234 37.3644 37.4333 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.66812806879948e-19 -1.0479260579405759e-18 -3.0893169856787997e-19 3.95452441157148e-19 1.032920071586532e-18 1.6484795387225999e-18 2.16601463503728e-18 2.60491490215524e-18 3.0081026521013394e-18 3.3653239544179798e-18 3.68870728622454e-18 3.98567072533644e-18 4.26616378865082e-18 4.54502263179852e-18 4.818097617297479e-18 5.07215476615086e-18 5.29330320694188e-18 5.485660533619919e-18 5.6490985720542595e-18 5.78328086515176e-18 5.88053298683556e-18 5.947824405463559e-18 5.9864368623429605e-18 5.99747585935122e-18 ] } }