{ "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" [ "As" "As" "As" "As" "As" "As" "As" "As" ] } "a" { "source-value" [ 7.93878 7.406852 7.077185 6.837664 6.649429 6.494346 6.362466 6.247741 6.146219 6.055171 5.972636 5.897159 5.827626 5.763169 5.703098 5.646853 5.593975 5.544085 5.496863 5.452038 5.409377 5.368683 5.329781 5.29252 5.267154 5.240457 5.212282 5.182456 5.150772 5.116986 5.080796 5.041834 4.999642 4.953634 4.90305 4.846879 4.783733 4.711628 4.627598 4.526898 4.401239 4.23402 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.93878e-10 7.406852e-10 7.077185e-10 6.837664e-10 6.649429e-10 6.494346e-10 6.362466000000001e-10 6.247741000000001e-10 6.146219000000001e-10 6.055171e-10 5.972636e-10 5.897159e-10 5.827626000000001e-10 5.763169000000001e-10 5.703098e-10 5.646853e-10 5.593975000000001e-10 5.544085e-10 5.496863000000001e-10 5.452038e-10 5.409377e-10 5.368683e-10 5.329781e-10 5.29252e-10 5.267154e-10 5.240457e-10 5.212282e-10 5.182456e-10 5.150772e-10 5.116986e-10 5.080796e-10 5.041834e-10 4.999642e-10 4.953634e-10 4.903050000000001e-10 4.846879000000001e-10 4.783733e-10 4.711628e-10 4.627598e-10 4.526898e-10 4.4012390000000003e-10 4.23402e-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" [ 1.98123 2.96974 3.83853 4.63479 5.37907 6.07628 6.73401 7.35227 7.93302 8.47742 8.9867 9.46183 9.90153 10.3056 10.6753 11.0099 11.3077 11.5679 11.7898 11.9729 12.1162 12.2191 12.2824 12.3038 12.293 12.2568 12.1878 12.0765 11.9106 11.6722 11.3368 10.8702 10.2227 9.3207 8.05108 6.23443 3.56819 -0.48216 -6.9466 -18.0244 -39.1369 -87.2179 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.1742803864275844e-19 4.758047997854592e-19 6.150003024239424e-19 7.425752180317632e-19 8.618220195646656e-19 9.735273757434625e-19 1.0789073386233408e-18 1.1779635103809216e-18 1.2710099176338817e-18 1.3582324128702338e-18 1.4398280638143362e-18 1.5159522815984066e-18 1.5863999876149823e-18 1.6511391383316482e-18 1.7103716080026241e-18 1.763980437734592e-18 1.8116932575020163e-18 1.8533818931752323e-18 1.888934192390784e-18 1.918270046317632e-18 1.941229237293696e-18 1.957715634721728e-18 1.9678574127313923e-18 1.971286070699904e-18 1.96955571994944e-18 1.963755840582144e-18 1.952700821898624e-18 1.93486859610912e-18 1.9082884859700482e-18 1.870092595330176e-18 1.816355591468544e-18 1.741598030342016e-18 1.6378570941452161e-18 1.4933407629490562e-18 1.2899252148190465e-18 9.988657990014145e-19 5.716870596572352e-19 -7.72505479484928e-20 -1.112968011404928e-18 -2.8878272283947522e-18 -6.270422619058752e-18 -1.3973848029527233e-17 ] } }