{ "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" [ "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" ] } "a" { "source-value" [ 9.1179 8.506967 8.128335 7.853239 7.637047 7.458929 7.307461 7.175697 7.059096 6.954525 6.859732 6.773044 6.693183 6.619153 6.55016 6.48556 6.424829 6.367529 6.313293 6.26181 6.212814 6.166075 6.121395 6.0786 6.049466 6.018804 5.986444 5.952188 5.915799 5.876993 5.835428 5.79068 5.74222 5.689378 5.631282 5.566768 5.494242 5.411428 5.314916 5.19926 5.054936 4.86288 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.117900000000001e-10 8.506967e-10 8.128335000000001e-10 7.853239e-10 7.637047e-10 7.458929000000001e-10 7.307461e-10 7.175697e-10 7.059096000000001e-10 6.954525000000001e-10 6.859732e-10 6.773044e-10 6.693183000000001e-10 6.619153e-10 6.55016e-10 6.48556e-10 6.424829e-10 6.367529000000001e-10 6.313293e-10 6.26181e-10 6.212814e-10 6.166075e-10 6.121395e-10 6.0786e-10 6.049466e-10 6.018804e-10 5.986444e-10 5.952188e-10 5.915799e-10 5.876993e-10 5.835428000000001e-10 5.79068e-10 5.74222e-10 5.689378e-10 5.631281999999999e-10 5.566768e-10 5.494242e-10 5.411428e-10 5.314916000000001e-10 5.199259999999999e-10 5.054936e-10 4.86288e-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" [ 0 0.367639 1.09259 1.62232 1.91385 2.04831 2.15459 2.24573 2.32442 2.39264 2.4519 2.50338 2.54802 2.5866 2.61975 2.64801 2.67182 2.69159 2.70764 2.72026 2.72972 2.73624 2.74002 2.74125 2.74066 2.73874 2.73519 2.72967 2.7217 2.71071 2.69591 2.6763 2.65048 2.61654 2.57178 2.51221 2.43181 2.34993 2.30142 2.27519 2.17986 1.72205 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 5.890226155471259e-20 1.7505221685420598e-19 2.59924319687088e-19 3.0663257509809e-19 3.2817544211885395e-19 3.4520337538500595e-19 3.59805613227282e-19 3.7241314116022797e-19 3.83343190157376e-19 3.9283768889046e-19 4.0108569420229195e-19 4.08237810696468e-19 4.1441900815043995e-19 4.197302236921499e-19 4.24257974859834e-19 4.2807275742538797e-19 4.31240260630806e-19 4.33811754128376e-19 4.35833701040484e-19 4.373493601362479e-19 4.38393979301616e-19 4.38999602069268e-19 4.3919666979525e-19 4.39102141373844e-19 4.38794523460116e-19 4.38225750755046e-19 4.373413492530779e-19 4.360644144757799e-19 4.34303622355014e-19 4.3193240093669397e-19 4.2879053255741993e-19 4.24653712488432e-19 4.19215924992636e-19 4.1204458237885196e-19 4.0250041617011397e-19 3.8961891603275397e-19 3.76500293753562e-19 3.6872813490202793e-19 3.6452562559104597e-19 3.49252075739124e-19 2.7590282725797e-19 ] } }