{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" ] } "a" { "source-value" [ 6.22251 5.805579 5.547182 5.359442 5.211902 5.090345 4.986976 4.897054 4.817479 4.746115 4.681423 4.622263 4.567762 4.517241 4.470156 4.42607 4.384624 4.34552 4.308507 4.273372 4.239934 4.208037 4.177545 4.14834 4.118815 4.088388 4.057005 4.024602 3.991111 3.956456 3.920553 3.88331 3.844623 3.804374 3.762432 3.718649 3.672856 3.624859 3.574434 3.521325 3.465228 3.405787 3.342578 3.275091 3.202704 3.12465 3.039966 2.947419 2.8454 2.731744 2.603453 2.456191 2.283359 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.22251e-10 5.805579e-10 5.547182000000001e-10 5.359442e-10 5.211902e-10 5.090345e-10 4.986976e-10 4.897054e-10 4.817479e-10 4.746114999999999e-10 4.681423e-10 4.622263e-10 4.5677620000000003e-10 4.5172410000000003e-10 4.470156e-10 4.42607e-10 4.384624e-10 4.34552e-10 4.308507e-10 4.2733720000000003e-10 4.239934e-10 4.2080370000000003e-10 4.1775450000000007e-10 4.1483400000000004e-10 4.118815e-10 4.0883880000000004e-10 4.057005e-10 4.024602e-10 3.991111e-10 3.956456e-10 3.920553e-10 3.88331e-10 3.844623e-10 3.8043740000000003e-10 3.762432e-10 3.718649e-10 3.672856e-10 3.624859e-10 3.574434e-10 3.521325e-10 3.465228e-10 3.4057870000000003e-10 3.342578e-10 3.275091e-10 3.2027040000000005e-10 3.12465e-10 3.0399660000000004e-10 2.947419e-10 2.8454000000000003e-10 2.731744e-10 2.603453e-10 2.456191e-10 2.283359e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 1.26563 2.10859 2.58061 2.9194 3.18581 3.40493 3.59181 3.75754 3.90884 4.0484 4.17627 4.29157 4.39377 4.48298 4.55983 4.62527 4.68026 4.72576 4.76257 4.79142 4.81291 4.82755 4.83589 4.83853 4.83584 4.82748 4.81308 4.79226 4.76453 4.72917 4.6848 4.62895 4.55738 4.46364 4.33883 4.17226 3.95276 3.67017 3.31528 2.87828 2.3457 1.69492 0.885272 -0.153266 -1.53037 -3.41581 -6.13442 -10.3882 -17.4805 -29.6025 -51.2243 -98.2985 -181.288 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.0277628132894198e-19 3.3783336286860597e-19 4.13459304346674e-19 4.677394465299599e-19 5.10423034236354e-19 5.4552992864056195e-19 5.75471405576754e-19 6.020242789320359e-19 6.26265211404456e-19 6.486251885085599e-19 6.691122211275179e-19 6.87585317717538e-19 7.039595629170179e-19 7.18252580668932e-19 7.305653081012219e-19 7.410499519941181e-19 7.498603213044839e-19 7.57150224989184e-19 7.63047837178938e-19 7.676701167680279e-19 7.711131943544939e-19 7.734587809466699e-19 7.74794996259426e-19 7.752179708908021e-19 7.74786985376256e-19 7.73447565710232e-19 7.711404313572719e-19 7.678046996052839e-19 7.633618637992019e-19 7.576965672213779e-19 7.5058770949632e-19 7.416395529954299e-19 7.30172774825892e-19 7.15153971058776e-19 6.951572044898219e-19 6.684697482972839e-19 6.33301971180984e-19 5.88026061680778e-19 5.31166415116752e-19 4.61151296210952e-19 3.7582257303737995e-19 2.7155612204992797e-19 1.418362113134448e-19 -2.45559203986644e-20 -2.45192305537458e-19 -5.47273096818354e-19 -9.82842438714228e-19 -1.6643731309318798e-18 -2.8006848650636998e-18 -4.7428433807985e-18 -8.207037655300619e-18 -1.57491559857249e-17 -2.90455397624592e-17 ] } }