{ "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" [ "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 5.48754 5.119855 4.891978 4.726413 4.596299 4.4891 4.397941 4.31864 4.248464 4.185529 4.128478 4.076306 4.028242 3.983688 3.942165 3.903286 3.866736 3.83225 3.799608 3.768624 3.739136 3.711006 3.684116 3.65836 3.640826 3.622372 3.602897 3.58228 3.560379 3.537025 3.512009 3.485078 3.455913 3.424111 3.389145 3.350319 3.30667 3.256829 3.198744 3.129137 3.042277 2.92669 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.48754e-10 5.119855e-10 4.891978e-10 4.726413e-10 4.596299e-10 4.4891e-10 4.3979410000000005e-10 4.3186400000000003e-10 4.2484640000000003e-10 4.185529e-10 4.1284780000000005e-10 4.076306e-10 4.028242e-10 3.983688e-10 3.9421650000000003e-10 3.903286e-10 3.8667360000000003e-10 3.8322500000000004e-10 3.7996080000000005e-10 3.768624e-10 3.739136e-10 3.711006e-10 3.684116e-10 3.65836e-10 3.640826e-10 3.622372e-10 3.602897e-10 3.58228e-10 3.5603790000000005e-10 3.537025e-10 3.512009e-10 3.4850780000000004e-10 3.455913e-10 3.424111e-10 3.389145e-10 3.350319e-10 3.3066700000000003e-10 3.2568290000000005e-10 3.198744e-10 3.129137e-10 3.042277e-10 2.92669e-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" [ 0.638647 1.21262 1.58471 1.92787 2.27061 2.59217 2.87143 3.10439 3.29334 3.44344 3.56337 3.6601 3.7386 3.80251 3.85458 3.89663 3.9298 3.95506 3.97333 3.98588 3.99405 3.9989 4.0013 4.00204 4.00162 4.00012 3.99711 3.99204 3.98421 3.97264 3.95622 3.9341 3.9055 3.86949 3.82468 3.76787 3.69244 3.58676 3.42189 3.11206 2.46242 1.1923 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.0232252923440575e-19 1.9428314139144962e-19 2.5389853127479683e-19 3.088788241941696e-19 3.637918256954688e-19 4.153114171139136e-19 4.600538014263745e-19 4.973781079845313e-19 5.276512352345472e-19 5.516999063127552e-19 5.709148105260096e-19 5.86412664979008e-19 5.989897514522881e-19 6.092292622358208e-19 6.175717959003264e-19 6.243089485907905e-19 6.29623368441984e-19 6.336704665861248e-19 6.365976432723264e-19 6.386083749314304e-19 6.399173532306241e-19 6.40694408891712e-19 6.41078931280704e-19 6.411974923506432e-19 6.411302009325696e-19 6.408898744394496e-19 6.404076192765889e-19 6.395953157298432e-19 6.383408114357568e-19 6.364870930854912e-19 6.338563190741376e-19 6.30312304388928e-19 6.2573007925344005e-19 6.199606412419393e-19 6.127812878041344e-19 6.036793224213696e-19 5.915941041706752e-19 5.746623016420608e-19 5.482472156949312e-19 4.986069774526848e-19 3.945231754590336e-19 1.91027518497984e-19 ] } }