{ "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" [ "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" ] } "a" { "source-value" [ 9.3572 8.730232 8.341663 8.059346 7.83748 7.654687 7.499244 7.364022 7.24436 7.137044 7.039763 6.9508 6.868844 6.792871 6.722066 6.655772 6.593447 6.534643 6.478983 6.426149 6.375866 6.327901 6.282048 6.23813 6.208231 6.176764 6.143555 6.1084 6.071055 6.031231 5.988575 5.942652 5.892921 5.838692 5.77907 5.712863 5.638434 5.553446 5.454401 5.335709 5.187597 4.9905 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.357200000000002e-10 8.730232000000001e-10 8.341663000000001e-10 8.059346e-10 7.837480000000001e-10 7.654687e-10 7.499244e-10 7.364022e-10 7.244360000000001e-10 7.137044000000001e-10 7.039763e-10 6.9508e-10 6.868844000000001e-10 6.792871e-10 6.722066e-10 6.655772e-10 6.593447000000001e-10 6.534643000000001e-10 6.478983000000001e-10 6.426149e-10 6.375866e-10 6.327901e-10 6.282047999999999e-10 6.238130000000001e-10 6.208231e-10 6.176764000000001e-10 6.143555e-10 6.1084e-10 6.071055000000001e-10 6.031231e-10 5.988575000000001e-10 5.942652e-10 5.892921000000001e-10 5.838692e-10 5.77907e-10 5.712863e-10 5.638434e-10 5.553446e-10 5.454401e-10 5.335709e-10 5.187597000000001e-10 4.9905e-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" [ 0.44146 0.713731 0.899376 1.05797 1.19163 1.30837 1.41025 1.49975 1.57866 1.64837 1.70995 1.76427 1.81204 1.85385 1.89021 1.92176 1.94884 1.97161 1.99034 2.00531 2.01673 2.02459 2.02903 2.03049 2.02979 2.02747 2.02318 2.01645 2.0067 1.99315 1.97479 1.95028 1.91777 1.87469 1.81734 1.74029 1.63517 1.48847 1.27737 0.958818 0.443137 -0.488588 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 7.072968910183681e-20 1.1435231217402049e-19 1.4409592005086208e-19 1.6950547995077763e-19 1.909201726643904e-19 2.0962398253560962e-19 2.2594695794832e-19 2.4028643870448e-19 2.529292144192128e-19 2.640979876428096e-19 2.73964191273696e-19 2.8266721467788163e-19 2.9032081239544324e-19 2.97019512847008e-19 3.028450270402368e-19 3.078998942788608e-19 3.122385885679872e-19 3.158867447335488e-19 3.1888762154430724e-19 3.2128607994564485e-19 3.231157656465984e-19 3.243750764705472e-19 3.2508644289018245e-19 3.253203606768192e-19 3.2520820831336324e-19 3.2483650333733763e-19 3.241491695670144e-19 3.23070904701216e-19 3.21508782495936e-19 3.19337833174752e-19 3.163962368989632e-19 3.124693020013824e-19 3.0726062580716163e-19 3.003584489247552e-19 2.9116996600446723e-19 2.788251951412032e-19 2.619831145033536e-19 2.384791834762176e-19 2.046572350111296e-19 1.5361957832022145e-19 7.099837412114496e-20 -7.828042708034305e-20 ] } }