{ "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" [ "U" "U" ] } "a" { "source-value" [ 5.19505 4.846963 4.631233 4.474493 4.351315 4.24983 4.163529 4.088455 4.02202 3.962439 3.90843 3.859038 3.813537 3.771357 3.732047 3.695241 3.660639 3.627991 3.59709 3.567756 3.53984 3.51321 3.487753 3.46337 3.43872 3.413317 3.387116 3.360063 3.332102 3.303169 3.273195 3.242101 3.209801 3.176198 3.141182 3.104628 3.066396 3.026324 2.984226 2.939886 2.893051 2.843425 2.790653 2.734309 2.673874 2.608708 2.538007 2.460741 2.375567 2.280678 2.17357 2.050623 1.906328 1.73168 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.195050000000001e-10 4.846963e-10 4.631233e-10 4.4744929999999997e-10 4.351315e-10 4.2498300000000004e-10 4.1635289999999996e-10 4.088455e-10 4.0220200000000003e-10 3.962439e-10 3.9084300000000004e-10 3.859038e-10 3.813537e-10 3.7713570000000003e-10 3.732047e-10 3.6952410000000005e-10 3.6606390000000003e-10 3.6279910000000005e-10 3.5970900000000003e-10 3.5677560000000003e-10 3.53984e-10 3.51321e-10 3.487753e-10 3.46337e-10 3.43872e-10 3.413317e-10 3.387116e-10 3.3600629999999997e-10 3.332102e-10 3.303169e-10 3.273195e-10 3.242101e-10 3.2098010000000004e-10 3.1761979999999997e-10 3.1411820000000004e-10 3.104628e-10 3.066396e-10 3.026324e-10 2.984226e-10 2.939886e-10 2.893051e-10 2.843425e-10 2.790653e-10 2.7343090000000003e-10 2.6738740000000004e-10 2.608708e-10 2.538007e-10 2.460741e-10 2.3755670000000004e-10 2.2806780000000002e-10 2.1735699999999999e-10 2.050623e-10 1.906328e-10 1.7316800000000002e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.04789 1.87417 2.49512 2.98622 3.386 3.71738 3.99537 4.23044 4.43024 4.60055 4.74588 4.86981 4.97526 5.06461 5.13987 5.20273 5.25462 5.29678 5.33029 5.35608 5.37499 5.38772 5.39495 5.39725 5.3948 5.38676 5.37187 5.34864 5.31519 5.2692 5.2078 5.12737 5.02338 4.89007 4.72009 4.50395 4.22933 3.88009 3.43477 2.86458 2.13033 1.17794 -0.0686176 -1.71812 -3.92968 -6.94184 -11.1235 -17.0724 -25.8079 -39.1792 -60.8012 -98.4785 -171.417 -336.087 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.6789048730022598e-19 3.0027513821437794e-19 3.9976229630260796e-19 4.78445190798348e-19 5.424970082724e-19 5.955899375698919e-19 6.401288458184579e-19 6.77791211953896e-19 7.09802701101216e-19 7.3708937135487e-19 7.603738043767919e-19 7.80229579401954e-19 7.971245320074838e-19 8.114399802322739e-19 8.23497961579758e-19 8.335692439010819e-19 8.418829384549079e-19 8.48637715143852e-19 8.540066090443859e-19 8.58138622583472e-19 8.61168338598366e-19 8.632079094534479e-19 8.643662831598299e-19 8.647347837856499e-19 8.6434225051032e-19 8.630541004965839e-19 8.60668459488558e-19 8.569466031677759e-19 8.51587322327046e-19 8.442189119872799e-19 8.343815474545199e-19 8.214952407872579e-19 8.04834205970292e-19 7.834755892624379e-19 7.562417908377059e-19 7.216123450704299e-19 6.77613370347522e-19 6.216589535817059e-19 5.503108237164179e-19 4.58956314222372e-19 3.4131649487092197e-19 1.8872679442539598e-19 -1.099375154011584e-20 -2.75273171840808e-19 -6.296041475097119e-19 -1.112205384496656e-18 -1.7821811788298997e-18 -2.7353000366301595e-18 -4.1348814352608595e-18 -6.27719987788128e-18 -9.74142619591608e-18 -1.5777995165136898e-17 -2.74640312070378e-17 -5.38470738391158e-17 ] } }