{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Pb" "Pb" ] } "a" { "source-value" [ 5.92089 5.524168 5.278296 5.099657 4.959268 4.843604 4.745245 4.659682 4.583964 4.516059 4.454503 4.398211 4.346352 4.298279 4.253477 4.211528 4.172091 4.134882 4.099663 4.066231 4.034414 4.004064 3.97505 3.94726 3.928341 3.90843 3.887417 3.865172 3.841542 3.816343 3.789352 3.760294 3.728826 3.694512 3.656786 3.614892 3.567797 3.51402 3.451348 3.376244 3.282525 3.15781 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.920890000000001e-10 5.524168000000001e-10 5.278296e-10 5.099657e-10 4.959268e-10 4.843604e-10 4.745245e-10 4.659682e-10 4.5839640000000003e-10 4.5160590000000004e-10 4.454503e-10 4.3982110000000003e-10 4.346352000000001e-10 4.298279e-10 4.2534770000000003e-10 4.2115280000000005e-10 4.172091e-10 4.1348820000000003e-10 4.099663e-10 4.0662310000000005e-10 4.034414e-10 4.0040639999999995e-10 3.97505e-10 3.94726e-10 3.9283410000000004e-10 3.9084300000000004e-10 3.887417e-10 3.865172e-10 3.841542e-10 3.816343e-10 3.789352e-10 3.760294e-10 3.728826e-10 3.694512e-10 3.656786e-10 3.614892e-10 3.5677970000000004e-10 3.51402e-10 3.451348e-10 3.3762439999999997e-10 3.2825250000000005e-10 3.1578100000000003e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.411231 0.614241 0.778749 0.916992 1.03586 1.14581 1.24385 1.33284 1.41266 1.48418 1.54822 1.60539 1.65625 1.70123 1.74072 1.77505 1.80451 1.82935 1.84985 1.86668 1.87951 1.88849 1.89379 1.89553 1.89468 1.89188 1.88665 1.87841 1.86638 1.84954 1.82655 1.79598 1.75692 1.70422 1.63387 1.53961 1.40803 1.21989 0.941352 0.507472 -0.216255 -1.59362 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.588646939482049e-20 9.841225697368129e-20 1.2476934412713793e-19 1.4691831438606337e-19 1.6596306744218882e-19 1.8357899938788482e-19 1.9928673897820798e-19 2.1354450872670722e-19 2.263330825139328e-19 2.3779184970589443e-19 2.480521887854976e-19 2.5721183252661124e-19 2.6536050282e-19 2.7256709326035844e-19 2.7889408873589764e-19 2.84394361075104e-19 2.891143733999808e-19 2.93094180126048e-19 2.96378642198688e-19 2.990751054514944e-19 3.0113069805598083e-19 3.0256945266145923e-19 3.034186062704832e-19 3.036973850025024e-19 3.035611999897344e-19 3.0311259053591043e-19 3.02274652163232e-19 3.009544586276928e-19 2.990270401528704e-19 2.963289747234432e-19 2.92645570672224e-19 2.877477167424384e-19 2.814896148615936e-19 2.730461440699776e-19 2.617748315426496e-19 2.466727147149888e-19 2.255912747385024e-19 1.954479237947712e-19 1.5082121663433217e-19 8.130597741106177e-20 -3.46478705131104e-20 -2.553260706439296e-19 ] } }