{ "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" [ "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" ] } "a" { "source-value" [ 8.88908 8.293478 7.924348 7.656155 7.445388 7.27174 7.124073 6.995616 6.881941 6.779994 6.687579 6.603067 6.525211 6.453038 6.385776 6.322798 6.263591 6.207729 6.154854 6.104663 6.056896 6.01133 5.967771 5.92605 5.883872 5.840407 5.795575 5.749286 5.701443 5.651937 5.600649 5.547447 5.49218 5.434683 5.374768 5.312223 5.246805 5.17824 5.106207 5.030338 4.950202 4.865288 4.774992 4.678585 4.575178 4.463675 4.342701 4.210495 4.064757 3.902397 3.719128 3.50876 3.261863 2.96303 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.889080000000001e-10 8.293478000000001e-10 7.924348e-10 7.656155e-10 7.445388e-10 7.27174e-10 7.124073e-10 6.995616e-10 6.881941e-10 6.779994000000001e-10 6.687579e-10 6.603067000000001e-10 6.525211e-10 6.453038e-10 6.385776e-10 6.322798e-10 6.263591e-10 6.207729e-10 6.154854000000001e-10 6.104663e-10 6.056896e-10 6.01133e-10 5.967771e-10 5.92605e-10 5.883872e-10 5.840407e-10 5.795575e-10 5.749286e-10 5.701443000000001e-10 5.651937e-10 5.600649e-10 5.547447e-10 5.492180000000001e-10 5.434683e-10 5.374768000000001e-10 5.312223000000001e-10 5.246805e-10 5.17824e-10 5.106207000000001e-10 5.030338e-10 4.950202e-10 4.865288e-10 4.774992e-10 4.678585e-10 4.575178e-10 4.4636750000000006e-10 4.342701e-10 4.210495e-10 4.0647570000000005e-10 3.9023970000000005e-10 3.719128e-10 3.50876e-10 3.261863e-10 2.96303e-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" [ 1.179 0.58623 0.659911 1.10856 1.43631 1.72925 2.00716 2.26984 2.51407 2.74268 2.96187 3.17 3.35732 3.51629 3.64588 3.74939 3.83269 3.90235 3.96355 4.0183 4.06528 4.10141 4.12391 4.13146 4.12332 4.09743 4.05191 3.98507 3.89518 3.78048 3.64047 3.47772 3.2979 3.10515 2.89155 2.6316 2.29395 1.85769 1.30755 0.661067 0.157457 0.186692 1.32249 4.3826 10.471 21.1376 38.478 65.5172 106.915 169.485 264.345 409.754 635.878 1002.35 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.8889662514859999e-19 9.3924400814982e-20 1.0572939847195739e-19 1.7761089293870398e-19 2.3012223211805396e-19 2.7705639443445e-19 3.2158248526994396e-19 3.6366846109185593e-19 4.0279842102403793e-19 4.3942578105391195e-19 4.74543890694558e-19 5.07889992978e-19 5.37901965686088e-19 5.633717676367859e-19 5.84134374636792e-19 6.007185049753259e-19 6.14064636336546e-19 6.2522539876899e-19 6.3503071976907e-19 6.438026368402199e-19 6.513296626667519e-19 6.571183268453939e-19 6.60723224271894e-19 6.619328676305639e-19 6.606286958504879e-19 6.56480660545062e-19 6.49187552507094e-19 6.384786038854379e-19 6.240766381224119e-19 6.05699672130432e-19 5.83267597077798e-19 5.57192172359448e-19 5.283818321268599e-19 4.9749987750651e-19 4.6327738460427e-19 4.2162880300344e-19 3.6753130895643e-19 2.97634751121546e-19 2.0949260577866999e-19 1.0591461009084779e-19 2.52273926259738e-20 2.9911356015472796e-20 2.1188625766986597e-19 7.0216993161684e-19 1.6776391534613998e-18 3.3866168818838396e-18 6.1648552523051996e-18 1.0497012696510479e-17 1.7129671482411e-17 2.7154490681349e-17 4.2352738231473e-17 6.56498284488036e-17 1.018788873674652e-16 1.6059417490899e-16 ] } }