{ "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" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 8.13345 7.588479 7.250727 7.005333 6.812483 6.653596 6.518482 6.400945 6.296933 6.203652 6.119094 6.041765 5.970528 5.90449 5.842946 5.785321 5.731147 5.680034 5.631654 5.585729 5.542023 5.500331 5.460475 5.4223 5.396312 5.36896 5.340094 5.309536 5.277076 5.242461 5.205383 5.165466 5.122239 5.075102 5.023278 4.96573 4.901035 4.827162 4.74107 4.637901 4.50916 4.33784 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.13345e-10 7.588479000000001e-10 7.250727000000001e-10 7.005333000000001e-10 6.812483000000001e-10 6.653596e-10 6.518482e-10 6.400945e-10 6.296933e-10 6.203652e-10 6.119094e-10 6.041765e-10 5.970528e-10 5.904490000000001e-10 5.842946000000001e-10 5.785321e-10 5.731147e-10 5.680034000000001e-10 5.631654e-10 5.585729e-10 5.542023e-10 5.500331000000001e-10 5.460475e-10 5.4223e-10 5.396312e-10 5.36896e-10 5.340094e-10 5.309536e-10 5.277076e-10 5.242461e-10 5.205383e-10 5.165466000000001e-10 5.122239e-10 5.075102e-10 5.023278000000001e-10 4.96573e-10 4.901035000000001e-10 4.827162000000001e-10 4.74107e-10 4.6379010000000004e-10 4.50916e-10 4.33784e-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" [ 1.5543 2.08027 2.47254 2.78831 3.05215 3.27736 3.4722 3.6422 3.79131 3.92247 4.03794 4.13952 4.22866 4.30655 4.37419 4.43242 4.48156 4.52266 4.55647 4.58337 4.6037 4.61782 4.62607 4.62876 4.62746 4.62319 4.61527 4.60287 4.58487 4.55988 4.52603 4.48081 4.42081 4.34127 4.23533 4.09284 3.89817 3.62604 3.23289 2.63733 1.66837 -0.102194 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.4902631217094403e-19 3.332959958951616e-19 3.961445781992832e-19 4.467365093542849e-19 4.890083373174721e-19 5.250909569945088e-19 5.563077662741761e-19 5.83544768827776e-19 6.074348244205249e-19 6.284489729789377e-19 6.469493064193152e-19 6.632242165334016e-19 6.775060189312128e-19 6.89985372630624e-19 7.008224952937152e-19 7.101519697566336e-19 7.180250656712449e-19 7.246100115827329e-19 7.300269707376577e-19 7.343368258476097e-19 7.375940509176961e-19 7.398563243062657e-19 7.411781200184257e-19 7.416091055294208e-19 7.414008225687168e-19 7.407166931516352e-19 7.394477692679616e-19 7.374610702581696e-19 7.345771523407295e-19 7.305733129653504e-19 7.251499451039425e-19 7.179049024246848e-19 7.082918426998849e-19 6.955481298580416e-19 6.785746707372865e-19 6.557452560675072e-19 6.245556837903936e-19 5.809556514085633e-19 5.179660775618112e-19 4.225468467334464e-19 2.673023408844096e-19 -1.637328375860352e-20 ] } }