{ "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" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" ] } "a" { "source-value" [ 8.51463 7.944118 7.590538 7.333643 7.131755 6.965422 6.823976 6.70093 6.592043 6.494391 6.405869 6.324917 6.250341 6.181208 6.11678 6.056455 5.999742 5.946233 5.895585 5.847508 5.801754 5.758107 5.716384 5.67642 5.649214 5.62058 5.590362 5.558372 5.524391 5.488153 5.449338 5.40755 5.362297 5.312952 5.258699 5.198454 5.130727 5.053392 4.963266 4.855263 4.720488 4.54114 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.514630000000001e-10 7.944118e-10 7.590538e-10 7.333643000000001e-10 7.131755e-10 6.965422e-10 6.823976e-10 6.70093e-10 6.592043000000001e-10 6.494391e-10 6.405869e-10 6.324917000000001e-10 6.250341e-10 6.181208e-10 6.116780000000001e-10 6.056455e-10 5.999742e-10 5.946233000000001e-10 5.895585e-10 5.847508e-10 5.801754e-10 5.758107e-10 5.716384e-10 5.67642e-10 5.649214e-10 5.62058e-10 5.590362e-10 5.558372000000001e-10 5.524391e-10 5.488153e-10 5.449338000000001e-10 5.40755e-10 5.362297e-10 5.312952e-10 5.258699e-10 5.198454e-10 5.130727e-10 5.053392e-10 4.963266e-10 4.855263e-10 4.720488e-10 4.5411400000000003e-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" [ 0.397034 0.569898 0.706523 0.820785 0.91917 1.0051 1.08098 1.1483 1.20822 1.26162 1.30918 1.35152 1.38904 1.42212 1.4511 1.47631 1.49793 1.51616 1.5312 1.5432 1.5523 1.55865 1.56237 1.5636 1.56301 1.56103 1.55734 1.55154 1.54309 1.5313 1.51524 1.49364 1.46478 1.42622 1.3744 1.30404 1.20686 1.06925 0.867502 0.556085 0.0374972 -0.941406 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.361185924627073e-20 9.130772518406785e-20 1.1319746326574785e-19 1.315042537703328e-19 1.472672684540736e-19 1.6103477215660803e-19 1.7319208835523842e-19 1.8397794136646403e-19 1.9357818367829763e-19 2.021338068333696e-19 2.0975375884189443e-19 2.1653737465436163e-19 2.225487413356032e-19 2.2784874159720963e-19 2.32491849444288e-19 2.3653093670532483e-19 2.3999484255949443e-19 2.429156105392128e-19 2.45325284176896e-19 2.47247896121856e-19 2.48705876846784e-19 2.49723259000992e-19 2.5031926870392964e-19 2.5051633642828804e-19 2.504218080076608e-19 2.501045770367424e-19 2.495133738636672e-19 2.485841114236032e-19 2.4723027217902723e-19 2.45341305943104e-19 2.427682102900992e-19 2.3930750878917124e-19 2.346836270615424e-19 2.285056340117376e-19 2.20203154762752e-19 2.0893024005880322e-19 1.9336028765786882e-19 1.7131273517904003e-19 1.3898914228972418e-19 8.909463861775681e-20 6.007713718546176e-21 -1.508298683880845e-19 ] } }