{ "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" [ 9.05928 8.452275 8.076077 7.80275 7.587947 7.410974 7.260481 7.129564 7.013712 6.909813 6.81563 6.729499 6.650152 6.576598 6.508048 6.443864 6.383523 6.326592 6.272705 6.221552 6.172871 6.126433 6.08204 6.03952 6.010574 5.980109 5.947957 5.913921 5.877766 5.83921 5.797912 5.753452 5.705304 5.652802 5.595079 5.53098 5.458921 5.376639 5.280748 5.165836 5.02244 4.83162 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.05928e-10 8.452275e-10 8.076077e-10 7.80275e-10 7.587947e-10 7.410974000000001e-10 7.260481000000001e-10 7.129564000000001e-10 7.013712e-10 6.909813e-10 6.81563e-10 6.729499e-10 6.650152000000001e-10 6.576598e-10 6.508047999999999e-10 6.443864e-10 6.383523000000001e-10 6.326592e-10 6.272705e-10 6.221552e-10 6.172871e-10 6.126433e-10 6.082040000000001e-10 6.039520000000001e-10 6.010574e-10 5.980109e-10 5.947957e-10 5.913921e-10 5.877766000000001e-10 5.83921e-10 5.797912e-10 5.753452e-10 5.705304e-10 5.652802000000001e-10 5.595079e-10 5.53098e-10 5.458921e-10 5.376639e-10 5.280748e-10 5.165836e-10 5.022439999999999e-10 4.83162e-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" [ 1.04311 1.41952 1.68668 1.89576 2.06596 2.20723 2.32564 2.42698 2.51929 2.60999 2.70342 2.79997 2.89689 2.99006 3.07559 3.15068 3.21395 3.26522 3.30514 3.33476 3.35538 3.36842 3.37528 3.37728 3.37645 3.37395 3.36984 3.36422 3.35724 3.34908 3.33992 3.32987 3.31875 3.30588 3.28959 3.26667 3.23157 3.17498 3.08099 2.91996 2.62831 2.04355 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.6712464549226882e-19 2.274321756758016e-19 2.702359262770944e-19 3.037342350647808e-19 3.3100328115079684e-19 3.5363723027283844e-19 3.726086036397312e-19 3.8884506151491843e-19 4.036347539015232e-19 4.181664958521792e-19 4.331356320203136e-19 4.486046472941376e-19 4.641329431029312e-19 4.790604226789248e-19 4.927638393166272e-19 5.047945835622144e-19 5.14931555042016e-19 5.231459145768576e-19 5.295418036470913e-19 5.342874507979009e-19 5.375911389899904e-19 5.396803773035137e-19 5.407794704653825e-19 5.410999057895424e-19 5.40966925130016e-19 5.40566380974816e-19 5.399078863836672e-19 5.390074631227776e-19 5.378891438414593e-19 5.365817677188864e-19 5.351141739342337e-19 5.335039864303297e-19 5.317223660280001e-19 5.296603647170305e-19 5.270504190017473e-19 5.233782301868737e-19 5.177545902478656e-19 5.086878727507585e-19 4.936290146918592e-19 4.678291645671168e-19 4.211016834214848e-19 3.2741280334358405e-19 ] } }