{ "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" [ "Ru" "Ru" "Ru" "Ru" ] } "a" { "source-value" [ 5.78116 5.393802 5.153732 4.979309 4.842234 4.729299 4.633262 4.549718 4.475787 4.409485 4.349382 4.294418 4.243783 4.196845 4.153099 4.112141 4.073635 4.037304 4.002916 3.970273 3.939207 3.909573 3.881244 3.85411 3.835638 3.816197 3.795679 3.773959 3.750887 3.726282 3.699928 3.671556 3.640831 3.607326 3.57049 3.529586 3.483601 3.431093 3.369901 3.296569 3.205062 3.08329 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.78116e-10 5.393802e-10 5.153732e-10 4.979309e-10 4.842234000000001e-10 4.729299e-10 4.633262e-10 4.5497180000000004e-10 4.4757870000000007e-10 4.4094850000000005e-10 4.3493820000000005e-10 4.294418e-10 4.2437829999999996e-10 4.196845e-10 4.153099e-10 4.1121410000000003e-10 4.0736350000000006e-10 4.037304e-10 4.002916e-10 3.9702730000000004e-10 3.9392070000000004e-10 3.9095730000000003e-10 3.881244e-10 3.85411e-10 3.835638e-10 3.816197e-10 3.795679e-10 3.773959e-10 3.7508870000000004e-10 3.726282e-10 3.699928e-10 3.671556e-10 3.640831e-10 3.607326e-10 3.57049e-10 3.529586e-10 3.483601e-10 3.4310930000000005e-10 3.369901e-10 3.296569e-10 3.205062e-10 3.08329e-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" [ 1.9895 3.16625 3.78229 4.07175 4.20737 4.32686 4.48022 4.66531 4.86515 5.06263 5.2467 5.41514 5.57113 5.71954 5.86465 6.00898 6.15272 6.29244 6.42143 6.53197 6.61728 6.67415 6.70409 6.71239 6.70958 6.70306 6.69667 6.68838 6.6589 6.57945 6.43713 6.2347 5.98104 5.69268 5.39753 5.13889 4.97571 4.96594 5.0621 4.58084 -0.421537 -34.1432 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.1875303870816e-19 5.072891725608e-19 6.059896611085633e-19 6.5236626557424e-19 6.740949849055296e-19 6.932393933474688e-19 7.178103740040577e-19 7.474650610784448e-19 7.7948295866851205e-19 8.111227425760705e-19 8.40614007635136e-19 8.676010706358912e-19 8.925934237437505e-19 9.163713269730433e-19 9.396205119174721e-19 9.627447270854785e-19 9.857744138328577e-19 1.0081600255786753e-18 1.0288265018103744e-18 1.0465369621766977e-18 1.0602051309287424e-18 1.0693167093712322e-18 1.0741136261739073e-18 1.0754434327691713e-18 1.0749932211387265e-18 1.0739486019819648e-18 1.0729248111212738e-18 1.0715966067026306e-18 1.066873390024512e-18 1.054144096772256e-18 1.0313419191050305e-18 9.989090577701761e-19 9.582682456069633e-19 9.120678805695745e-19 8.647796376066624e-19 8.233409414862913e-19 7.971966233880769e-19 7.956312968295552e-19 8.110378272151681e-19 7.339314751625473e-19 -6.753767262021696e-20 -5.470343679929856e-18 ] } }